2-Carboxyquinolinium-2,4,6-trinitrobenzenesulfonatequinolinium-2-carboxylate
|
|
- Διονυσόδωρος Μπότσαρης
- 5 χρόνια πριν
- Προβολές:
Transcript
1 2-Carboxyquinolinium-2,4,6-trinitrobenzenesulfonatequinolinium-2-carboxylate (1/1/1) Author Smith, Graham, Wermuth, Urs, M. White, Jonathan Published 2008 Journal Title Acta Crystallographica. Section E: Structure Reports Online DOI Copyright Statement The Author(s) For information about this journal please refer to the journal's website. All articles published in Acta Crystallographica Section E are open access and distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. See creativecommons.org/licenses/by/2.0/uk/legalcode Downloaded from Link to published version Griffith Research Online
2 organic compounds Acta Crystallographica Section E Structure Reports Online ISSN Carboxyquinolinium 2,4,6-trinitro- benzenesulfonate quinolinium-2- carboxylate (1/1/1) Graham Smith, a * Urs D. Wermuth b and Jonathan M. White c a School of Physical and Chemical Sciences, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia, b School of Biomolecular and Physical Sciences, Griffith University, Nathan, Queensland 4111, Australia, and c BIO-21 Molecular Science and Biotechnology, University of Melbourne, Parkville, c = (12) Å = (1) = (2) = (2) V = (18) Å 3 Data collection Bruker SMART CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 1999) T min = 0.93, T max = 0.98 Refinement R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 419 parameters Z =2 Mo K radiation = 0.21 mm 1 T = 130 (2) K mm 6761 measured reflections 4446 independent reflections 3779 reflections with I > 2(I) R int = H atoms treated by a mixture of independent and constrained refinement max = 0.26 e Å 3 min = 0.36 e Å 3 Victoria 3052, Australia Correspondence g.smith@qut.edu.au Received 20 November 2007; accepted 23 November 2007 Key indicators: single-crystal X-ray study; T = 130 K; mean (C C) = Å; R factor = 0.034; wr factor = 0.090; data-to-parameter ratio = The structure of the title adduct compound, C 10 H 8 NO C 6 H 2 N 3 O 9 S C 10 H 7 NO 2, from the reaction of 2,4,6-trinitrobenzenesulfonic acid (picrylsulfonic acid) with quinoline-2- carboxylic acid (quinaldic acid) in 2-propanol water, has been determined at 130 (2) K. The cation and the adduct species form a twisted cyclic hydrogen-bonded R 2 2(10) pseudo-dimer which is extended into a one-dimensional chain structure through short head-to-tail carboxylic acid O HO carboxyl associations [OO = (19) Å]. The picrylsulfonate anions are attached peripherally by single N HO sulfonate hydrogen bonds [NO = (19) Å]. Related literature For other related picrylsulfonate and quinaldic acid structures, see: Russell & Ward (1997); Smith et al. (2004); Smith, Wermuth & Healy (2006); Smith, Wermuth & White (2006); Smith, Wermuth, Healy & White (2007); Smith, Wermuth & White (2007); Dobrzyńska & Jerzykiewicz (2004). For graph-set nomenclature, see: Etter et al. (1990). Table 1 Hydrogen-bond geometry (Å, ). D HA D H HA DA D HA N1A H1AO21A 0.87 (2) 2.31 (2) (2) (18) N1A H1AO21B 0.87 (2) 1.94 (2) (2) 155 (2) N1B H1BO (2) 2.23 (2) (19) 132 (2) N1B H1BO21A 0.85 (2) 2.14 (3) (2) 128 (2) N1B H1BO21B 0.85 (2) 2.30 (3) (2) 108 (2) O22A H22AO22B i 0.97 (2) 1.50 (2) (19) 179 (3) C4B H4BO41 ii (2) 152 C5B H5BO12 iii (2) 158 C8A H8AO21B (2) 134 Symmetry codes: (i) x 1; y; z; (ii) x; y; z þ 1; (iii) x þ 1; y þ 2; z þ 1. Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: PLATON. The authors acknowledge financial support from the School of Physical and Chemical Sciences, Queensland University of Technology, the School of Biomolecular and Physical Sciences, Griffith University, and the School of Chemistry, University of Melbourne. Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SF2012). Experimental Crystal data C 10 H 8 NO 2 + C 6 H 2 N 3 O 9 S - C 10 H 7 NO 2 M r = Triclinic, P1 a = (6) Å b = (10) Å References Bruker (1999). SADABS (Version 2.03) and SAINT (Version 6.02). Bruker AXS Inc., Madison, Wisconsin, USA. Bruker (2000). SMART. Version Bruker AXS Inc., Madison, Wisconsin, USA. Dobrzyńska, D. & Jerzykiewicz, L. B. (2004). J. Chem. Crystallogr. 34, Etter, M. C., MacDonald, J. C. & Bernstein, J. (1990). Acta Cryst. B46, Russell, V. A. & Ward, M. D. (1997). J. Mater. Chem. 7, Sheldrick, G. M. (1997). SHELXL97 and SHELXS97. University of Göttingen, Germany. Smith, G., Wermuth, U. D. & Healy, P. C. (2006). Acta Cryst. E62, o5510 o5512. Smith, G., Wermuth, U. D., Healy, P. C. & White, J. M. (2007). Aust. J. Chem. 60, Smith, G., Wermuth, U. D. & White, J. M. (2004). Acta Cryst. C60, o575 o581. o132 Smith et al. doi: /s Acta Cryst. (2008). E64, o132 o133
3 organic compounds Smith, G., Wermuth, U. D. & White, J. M. (2006). Acta Cryst. C62, o694 o698. Smith, G., Wermuth, U. D. & White, J. M. (2007). Unpublished data. Spek, A. L. (2003). J. Appl. Cryst. 36, Acta Cryst. (2008). E64, o132 o133 Smith et al. C 10 H 8 NO 2 + C 6 H 2 N 3 O 9 S C 10 H 7 NO 2 o133
4
5 Acta Cryst. (2008). E64, o132-o133 [ doi: /s ] 2-Carboxyquinolinium-2,4,6-trinitrobenzenesulfonate-quinolinium-2-carboxylate (1/1/1) G. Smith, U. D. Wermuth and J. M. White Comment Picrylsulfonic acid (2,4,6-trinitrobenzenesulfonic acid) reacts with certain Lewis bases to form 1:1 proton-transfer salts and the structures of a small number of these are known: with guanidine (Russell & Ward, 1997) and quinoline (Smith, Wermuth & Healy, 2006). However, the 1:1 reaction with quinoline-2-carboxylic acid in 80% 2-propanol-water resulted in the adduct salt 2-carboxyquinolinium-2,4,6-trinitrobenzenesulfonate-quinolinium- 2-carboxylate (1/1/1) (I) and the structure is reported here. In (I), the asymmetric unit comprises a protonated quinaldic acid cation (A), a picrylsulfonate anion and a zwitterionic quinaldic acid adduct molecule (B) (Fig. 1). The cation and the adduct species form a pseudo-dimer through a twisted cyclic hydrogen-bonded duplex N H O association [graph set R 2 2(10) (Etter et al., 1990]. This pseudo-dimer incorporates a cyclic R 2 2(4) association and two intramolecular S(5) N H O carboxyl associations and is similar to that found in the zwitterionic parent acid (Dobrzyńska & Jerzykiewicz, 2004), the 1:2 L-tartaric acid-quinaldic acid adduct (Smith, Wermuth & White, 2006) and in the analogous (1:1:1) protonated quinaldic acid-zwitterionic adduct compounds with 5- sulfosalicylic acid (Smith et al., 2004) and 4,5-dichlorophthalic acid (Smith, Wermuth & White, 2007). However, in the 1:1 compound with 3,5-dinitrosalicylic acid (Smith, Wermuth, Healy & White, 2007), this dimer is not found. In (I), the pseudo-dimers are extended into one-dimensional chain structures through short head-to-tail carboxylic acid O H O carboxyl associations [O O, (19) Å] (Fig. 2). The picrylsulfonate anions are attached peripherally by single N H O sulfonate hydrogen bonds (Table 1). All nitro groups of the anion are rotated out of the plane of the benzene ring, particularly those which are ortho to the sulfonate group [torsion angle C1 C2 N2 O22, (17) ; C5 C6 N6 O62, (17) ], compared to the para- related group [torsion angle C3 C4 N4 O42, (16) ]. Experimental The title compound was synthesized by heating under reflux 1 mmol quantities of 2,4,6-trinitrobenzenesulfonic acid (picrylsulfonic acid) and quinoline-2-carboxylic acid (quinaldic acid) in 50 ml of 80% 2-propanol-water for 10 minutes. After concentration to ca 30 ml, partial room temperature evaporation of the hot-filtered solution gave pale yellow flat prisms of (I) [m.pt K]. Refinement Interactive hydrogen atoms were located by difference methods and their positional and isotropic displacement parameters were refined. The aromatic ring H atoms were included in the refinement in calculated positions (C H = 0.95 Å) using a riding model approximation, with U iso (H) = 1.2U eq (C). sup-1
6 Figures Fig. 1. Molecular configuration and atom naming scheme for the cation, anion and the zwitterionic adduct species in (I). Inter-species hydrogen-bonding interactions are shown as dashed lines. Non-H atom displacement ellipsoids are drawn at the 50% probability level. Fig. 2. A perspective view of the one-dimensional head-to-tail cation-adduct dimer extension and peripheral N H O sulfonate associations in (I). Non-interactive H-atoms are omitted while hydrogen bonds are shown as dashed lines. Symmetry code (iv): x + 1, y, z. For other symmetry codes see Table 1. 2-Carboxyquinolinium 2,4,6-trinitrobenzenesulfonate quinolinium-2-carboxylate (1/1/1) Crystal data C 10 H 8 NO 2+ C 6 H 2 N 3 O 9 S C 10 H 7 NO 2 Z = 2 M r = F 000 = 656 Triclinic, P1 Hall symbol: -P 1 a = (6) Å b = (10) Å D x = Mg m 3 Melting point: K Mo Kα radiation λ = Å c = (12) Å θ = º α = (1)º β = (2)º γ = (2)º V = (18) Å 3 Cell parameters from 3558 reflections µ = 0.21 mm 1 T = 130 (2) K Plate, colourless mm Data collection Bruker SMART CCD area-detector diffractometer Radiation source: sealed tube Monochromator: graphite R int = T = 130(2) K θ max = 25.0º φ and ω scans θ min = 1.6º Absorption correction: multi-scan (SADABS; Bruker, 1999) T min = 0.93, T max = independent reflections 3779 reflections with I > 2σ(I) h = 9 9 k = measured reflections l = sup-2
7 Refinement Refinement on F 2 Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites H atoms treated by a mixture of independent and constrained refinement R[F 2 > 2σ(F 2 )] = w = 1/[σ 2 (F o 2 ) + (0.0504P) 2 ] where P = (F o 2 + 2F c 2 )/3 wr(f 2 ) = (Δ/σ) max = S = 1.00 Δρ max = 0.26 e Å reflections Δρ min = 0.36 e Å parameters Primary atom site location: structure-invariant direct methods Secondary atom site location: difference Fourier map Extinction correction: SHELXL97 (Sheldrick, 1997), Fc * =kfc[ xfc 2 λ 3 /sin(2θ)] -1/4 Extinction coefficient: (9) Special details Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wr and goodness of fit S are based on F 2, conventional R-factors R are based on F, with F set to zero for negative F 2. The threshold expression of F 2 > 2sigma(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R factors based on ALL data will be even larger. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 ) x y z U iso */U eq O21A (15) (10) (10) (4) O21B (15) (10) (10) (4) O22A (15) (10) (9) (4) O22B (15) (11) (10) (4) N1A (18) (12) (11) (4) N1B (18) (12) (11) (5) C2A (2) (14) (13) (5) C2B (2) (14) (13) (5) C3A (2) (14) (14) (5) C3B (2) (14) (13) (5) C4A (2) (15) (14) (6) C4B (2) (15) (14) (5) C5A (2) (16) (14) (6) C5B (2) (15) (14) (6) C6A (2) (16) (14) (6) C6B (2) (15) (15) (6) sup-3
8 C7A (2) (16) (14) (6) C7B (2) (15) (14) (6) C8A (2) (15) (13) (5) C8B (2) (14) (14) (5) C9A (2) (14) (13) (5) C9B (2) (14) (13) (5) C10A (2) (14) (14) (6) C10B (2) (14) (13) (5) C21A (2) (14) (13) (5) C21B (2) (14) (14) (5) S (6) (4) (3) (1) O (16) (11) (10) (4) O (16) (11) (9) (4) O (16) (11) (9) (4) O (16) (11) (10) (4) O (17) (10) (10) (4) O (16) (11) (10) (4) O (17) (11) (9) (4) O (16) (11) (10) (4) O (16) (11) (10) (4) N (19) (13) (11) (5) N (18) (13) (11) (5) N (19) (12) (11) (5) C (2) (15) (13) (5) C (2) (14) (13) (5) C (2) (14) (13) (5) C (2) (15) (13) (5) C (2) (15) (13) (5) C (2) (14) (13) (5) H1A (3) (18) (16) (6)* H1B (3) (19) (18) (7)* H3A * H3B * H4A * H4B * H5A * H5B * H6A * H6B * H7A * H7B * H8A * H8B * H22A (3) (19) (18) (7)* H * H * sup-4
9 Atomic displacement parameters (Å 2 ) U 11 U 22 U 33 U 12 U 13 U 23 O21A (7) (7) (8) (5) (6) (6) O21B (7) (7) (7) (5) (6) (6) O22A (7) (7) (7) (5) (6) (6) O22B (7) (7) (7) (5) (6) (6) N1A (8) (7) (8) (6) (6) (7) N1B (8) (8) (8) (6) (6) (7) C2A (9) (8) (9) (7) (8) (7) C2B (9) (8) (9) (7) (7) (7) C3A (9) (9) (10) (7) (8) (8) C3B (9) (9) (9) (7) (8) (8) C4A (10) (9) (10) (8) (8) (8) C4B (10) (9) (9) (8) (8) (8) C5A (11) (10) (10) (8) (9) (9) C5B (11) (9) (10) (8) (8) (8) C6A (10) (10) (10) (8) (8) (9) C6B (10) (9) (11) (8) (8) (8) C7A (10) (10) (10) (8) (8) (9) C7B (10) (9) (11) (7) (8) (8) C8A (9) (9) (10) (8) (8) (8) C8B (9) (9) (10) (7) (8) (8) C9A (9) (9) (9) (7) (7) (7) C9B (9) (8) (9) (7) (7) (7) C10A (10) (9) (10) (7) (8) (8) C10B (10) (8) (9) (7) (8) (7) C21A (9) (8) (9) (7) (8) (8) C21B (9) (9) (10) (7) (8) (8) S (2) (3) (2) (2) (2) (2) O (7) (8) (7) (6) (6) (6) O (7) (8) (7) (6) (5) (6) O (7) (8) (7) (6) (6) (6) O (7) (7) (7) (6) (6) (6) O (8) (7) (7) (6) (6) (6) O (7) (8) (7) (6) (6) (6) O (8) (8) (7) (6) (6) (6) O (7) (7) (8) (6) (6) (6) O (7) (7) (8) (6) (6) (6) N (8) (8) (8) (6) (7) (7) N (8) (9) (8) (7) (6) (7) N (9) (8) (8) (7) (7) (7) C (8) (9) (9) (7) (7) (8) C (9) (8) (9) (7) (7) (7) C (9) (9) (9) (7) (7) (8) C (9) (9) (9) (7) (7) (8) C (9) (9) (10) (7) (7) (8) sup-5
10 C (9) (9) (10) (7) (8) (8) Geometric parameters (Å, ) S1 C (18) C5A C10A (3) S1 O (15) C5A C6A (2) S1 O (15) C5B C6B (2) S1 O (14) C5B C10B (3) O21A C21A (2) C6A C7A (3) O21B C21B (2) C6B C7B (3) O22A C21A (2) C7A C8A (3) O22B C21B (2) C7B C8B (3) O22A H22A 0.97 (2) C8A C9A (2) O21 N (2) C8B C9B (2) O22 N (2) C9A C10A (3) O41 N (2) C9B C10B (2) O42 N (2) C3A H3A O61 N (2) C3B H3B O62 N (2) C4A H4A N1A C2A (2) C4B H4B N1A C9A (2) C5A H5A N1B C9B (2) C5B H5B N1B C2B (2) C6A H6A N1A H1A 0.87 (2) C6B H6B N1B H1B 0.85 (2) C7A H7A N2 C (2) C7B H7B N4 C (2) C8A H8A N6 C (2) C8B H8B C2A C3A (3) C1 C (3) C2A C21A (3) C1 C (3) C2B C21B (3) C2 C (2) C2B C3B (2) C3 C (3) C3A C4A (3) C4 C (3) C3B C4B (3) C5 C (2) C4A C10A (2) C3 H C4B C10B (2) C5 H O12 S1 O (8) C5B C10B C9B (15) O12 S1 C (8) C4B C10B C5B (16) O13 S1 C (8) O21A C21A C2A (15) O11 S1 C (8) O22A C21A C2A (15) O11 S1 O (9) O21A C21A O22A (17) O11 S1 O (8) O21B C21B C2B (15) C21A O22A H22A (15) O22B C21B C2B (16) C2A N1A C9A (16) O21B C21B O22B (17) C2B N1B C9B (15) C2A C3A H3A C9A N1A H1A (16) C4A C3A H3A C2A N1A H1A (16) C2B C3B H3B C9B N1B H1B (17) C4B C3B H3B C2B N1B H1B (17) C10A C4A H4A sup-6
11 O21 N2 C (16) C3A C4A H4A O22 N2 C (14) C10B C4B H4B O21 N2 O (16) C3B C4B H4B O41 N4 C (15) C6A C5A H5A O41 N4 O (15) C10A C5A H5A O42 N4 C (16) C6B C5B H5B O61 N6 C (15) C10B C5B H5B O62 N6 C (15) C5A C6A H6A O61 N6 O (16) C7A C6A H6A C3A C2A C21A (15) C5B C6B H6B N1A C2A C21A (16) C7B C6B H6B N1A C2A C3A (16) C6A C7A H7A N1B C2B C3B (16) C8A C7A H7A C3B C2B C21B (15) C6B C7B H7B N1B C2B C21B (15) C8B C7B H7B C2A C3A C4A (16) C7A C8A H8A C2B C3B C4B (16) C9A C8A H8A C3A C4A C10A (17) C7B C8B H8B C3B C4B C10B (17) C9B C8B H8B C6A C5A C10A (18) S1 C1 C (14) C6B C5B C10B (17) S1 C1 C (14) C5A C6A C7A (17) C2 C1 C (16) C5B C6B C7B (17) N2 C2 C (15) C6A C7A C8A (16) N2 C2 C (16) C6B C7B C8B (16) C1 C2 C (16) C7A C8A C9A (17) C2 C3 C (17) C7B C8B C9B (17) N4 C4 C (17) C8A C9A C10A (16) N4 C4 C (16) N1A C9A C8A (16) C3 C4 C (16) N1A C9A C10A (15) C4 C5 C (16) N1B C9B C8B (16) N6 C6 C (15) N1B C9B C10B (15) N6 C6 C (15) C8B C9B C10B (16) C1 C6 C (17) C4A C10A C5A (17) C2 C3 H C5A C10A C9A (16) C4 C3 H C4A C10A C9A (16) C4 C5 H C4B C10B C9B (16) C6 C5 H O13 S1 C1 C (15) C3A C4A C10A C9A 2.5 (3) O12 S1 C1 C (16) C3B C4B C10B C5B (18) O11 S1 C1 C (15) C3B C4B C10B C9B 0.4 (3) O11 S1 C1 C (17) C6A C5A C10A C4A (18) O12 S1 C1 C (15) C6A C5A C10A C9A 0.9 (3) O13 S1 C1 C (16) C10A C5A C6A C7A 0.4 (3) C9A N1A C2A C21A (16) C6B C5B C10B C9B 0.2 (3) C9A N1A C2A C3A 2.3 (3) C10B C5B C6B C7B 0.3 (3) C2A N1A C9A C10A 0.5 (3) C6B C5B C10B C4B (18) C2A N1A C9A C8A (17) C5A C6A C7A C8A 0.3 (3) C9B N1B C2B C3B 2.1 (3) C5B C6B C7B C8B 0.7 (3) C2B N1B C9B C10B 2.9 (3) C6A C7A C8A C9A 0.6 (3) sup-7
12 C9B N1B C2B C21B (16) C6B C7B C8B C9B 0.9 (3) C2B N1B C9B C8B (17) C7A C8A C9A C10A 1.1 (3) O21 N2 C2 C (17) C7A C8A C9A N1A (17) O21 N2 C2 C (2) C7B C8B C9B N1B (17) O22 N2 C2 C (17) C7B C8B C9B C10B 0.8 (3) O22 N2 C2 C (2) N1A C9A C10A C4A 1.9 (3) O41 N4 C4 C (2) C8A C9A C10A C5A 1.3 (3) O42 N4 C4 C (2) N1A C9A C10A C5A (16) O41 N4 C4 C (16) C8A C9A C10A C4A (17) O42 N4 C4 C (16) N1B C9B C10B C4B 1.6 (3) O61 N6 C6 C (18) N1B C9B C10B C5B (16) O62 N6 C6 C (2) C8B C9B C10B C4B (17) O62 N6 C6 C (17) C8B C9B C10B C5B 0.4 (3) O61 N6 C6 C (2) S1 C1 C2 N (2) N1A C2A C3A C4A 1.6 (3) S1 C1 C2 C (14) C21A C2A C3A C4A (17) C6 C1 C2 N (15) C3A C2A C21A O22A 0.4 (2) C6 C1 C2 C3 1.5 (3) N1A C2A C21A O21A 1.6 (2) S1 C1 C6 N (2) N1A C2A C21A O22A (15) S1 C1 C6 C (14) C3A C2A C21A O21A (17) C2 C1 C6 N (15) N1B C2B C3B C4B 0.2 (3) C2 C1 C6 C5 3.2 (3) C21B C2B C3B C4B (17) N2 C2 C3 C (15) N1B C2B C21B O21B 6.2 (2) C1 C2 C3 C4 0.8 (3) C3B C2B C21B O22B 6.6 (3) C2 C3 C4 N (15) C3B C2B C21B O21B (17) C2 C3 C4 C5 1.8 (3) N1B C2B C21B O22B (16) N4 C4 C5 C (15) C2A C3A C4A C10A 0.8 (3) C3 C4 C5 C6 0.3 (3) C2B C3B C4B C10B 1.3 (3) C4 C5 C6 N (15) C3A C4A C10A C5A (18) C4 C5 C6 C1 2.4 (3) Hydrogen-bond geometry (Å, ) D H A D H H A D A D H A N1A H1A O21A 0.87 (2) 2.31 (2) (2) (18) N1A H1A O21B 0.87 (2) 1.94 (2) (2) 155 (2) N1B H1B O (2) 2.23 (2) (19) 132 (2) N1B H1B O21A 0.85 (2) 2.14 (3) (2) 128 (2) N1B H1B O21B 0.85 (2) 2.30 (3) (2) 108 (2) O22A H22A O22B i 0.97 (2) 1.50 (2) (19) 179 (3) C4B H4B O41 ii (2) 152 C5B H5B O12 iii (2) 158 C8A H8A O21B (2) 134 Symmetry codes: (i) x 1, y, z; (ii) x, y, z+1; (iii) x+1, y+2, z+1. sup-8
13 Fig. 1 sup-9
14 Fig. 2 sup-10
Experimental. Crystal data
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Terephthalic acid 2,2 0 -dimethyl-1,1 0 - (butane-1,4-diyl)dibenzimidazole (2/3) Hui Jiang and Xian-Wu Dong* Department
Διαβάστε περισσότεραTriclinic, P1 a = (2) Å b = (3) Å c = (4) Å = (1) = (1) = (1) Data collection.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Benzyl N 0 -(4,6-dimethoxy-2-methyl-3- phenyl-1h-indol-7-ylmethylene)- hydrazinecarbodithioate Hamid Khaldei,
Διαβάστε περισσότεραmetal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 [1,2-Bis(1H-benzimidazol-2-yl-jN 3 )- ethane]dichloridozinc(ii) Yan-Ling Zhou, a Ming-Hua Zeng a and Seik
Διαβάστε περισσότεραmetal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 2,2 0 -Biimidazolium hexaaquamanganese(ii) bis(sulfate) Mukhtar A. Kurawa, Christopher J. Adams and A. Guy
Διαβάστε περισσότεραdata reports 2-(4-Methylphenyl)-2-oxoethyl 3,4-dimethoxybenzoate Structure description Synthesis and crystallization Refinement
2-(4-Methylphenyl)-2-oxoethyl 3,4-dimethoxybenzoate ISSN 2414-3146 Shamantha Kumar, a Chandra, b B. M. Rajesh, c M. Mahendra b and B. H. Doreswamy a * Received 27 December 2016 Accepted 2 February 2017
Διαβάστε περισσότεραSupplementary Material
Supplementary Material Synthesis of bis-oxathiaaza[3.3.3]propellanes via nucleophilic addition of (1,ω-alkanediyl)bis(N'-organylthioureas) on dicyanomethylene-1,3-indanedione Alaa A. Hassan, a * Kamal
Διαβάστε περισσότεραExperimental. Crystal data. C 37 H 38 N 4 O 6 M r = Monoclinic, P2 1 a = (2) Å b = (7) Å c = (2) Å = 112.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Pheophorbide b ethyl ester from a chlorella vulgaris dietary supplement Experimental Crystal data C 37 H 38 N
Διαβάστε περισσότεραSynthesis of New Heteroscorpionate Iridium(I) and Iridium(III) Complexes
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2015 ELECTRONIC SUPPORTING INFORMATION For Synthesis of New Heteroscorpionate Iridium(I)
Διαβάστε περισσότεραExperimental. Crystal data. C 23 H 27 ClN 2 O M r = Triclinic, P1 a = (3) Å b = (6) Å c = (7) Å = (4) = 80.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 8-{(E)-[(4-Chlorophenyl)imino]methyl}- 1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-ol
Διαβάστε περισσότεραmetal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Pentakis(2-oxo-2,3-dihydropyrimidin-1- ium) di-l 3 -chlorido-tri-l 2 -chlorido-hexachloridotricadmate(ii)
Διαβάστε περισσότεραSupplementary information
Electronic Supplementary Material (ESI) for rganic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 2015 Supplementary information Hybrids of acylated homoserine lactone and nitric
Διαβάστε περισσότεραmetal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Triethylammonium bis(oxalato)- oxido(triphenylphosphane)rhenate(v) Philipp Grimminger and Peter Klüfers*
Διαβάστε περισσότεραIV. ANHANG 179. Anhang 178
Anhang 178 IV. ANHANG 179 1. Röntgenstrukturanalysen (Tabellen) 179 1.1. Diastereomer A (Diplomarbeit) 179 1.2. Diastereomer B (Diplomarbeit) 186 1.3. Aldoladdukt 5A 193 1.4. Aldoladdukt 13A 200 1.5. Aldoladdukt
Διαβάστε περισσότεραSupporting Information File 2. Crystallographic data of syn-bis-quinoxaline, 16c CH 3 CO 2 C 2 H 5 ;
Supporting Information File 2 Crystallographic data of syn-bis-quinoxaline, 16c CH 3 CO 2 C 2 H 5 ; Preparation, structures and host guest chemistry of fluorinated syn-bisquinoxaline molecular tweezers
Διαβάστε περισσότεραEnantioselective Synthesis of the Anti-inflammatory Agent ( )-Acanthoic Acid
Enantioselective Synthesis of the Anti-inflammatory Agent ( )-Acanthoic Acid Taotao Ling, a Chinmay Chowdhury, a Bryan A. Kramer, a Binh G. Vong, a Michael A. Palladino b and Emmanuel A. Theodorakis a
Διαβάστε περισσότεραCycloaddition of Homochiral Dihydroimidazoles: A 1,3-Dipolar Cycloaddition Route to Optically Active Pyrrolo[1,2-a]imidazoles
X-Ray crystallographic data tables for paper: Supplementary Material (ESI) for Organic & Biomolecular Chemistry Cycloaddition of Homochiral Dihydroimidazoles: A 1,3-Dipolar Cycloaddition Route to Optically
Διαβάστε περισσότεραorganic papers 7,8-Dihydroxy-3-methyl-10-oxo-1H,10Hpyrano[4,3-b]chromene-9-carboxylic
organic papers Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 7,8-Dihydroxy-3-methyl-10-oxo-1H,10Hpyrano[4,3-b]chromene-9-carboxylic acid Jian-Feng Wang, a * Yong-Jie Zhang, b
Διαβάστε περισσότεραPatrycja Miszczyk, Dorota Wieczorek, Joanna Gałęzowska, Błażej Dziuk, Joanna Wietrzyk and Ewa Chmielewska. 1. Spectroscopic Data.
; doi:10.3390/molecules22020254 S1 of S23 Supplementary Materials: Reaction of 3-Amino-1,2,4-Triazole with Diethyl Phosphite and Triethyl Orthoformate: Acid-Base Properties and Antiosteoporotic Activities
Διαβάστε περισσότερα2. Experimental Crystal data. C 22 H 29 F 3 O 5 S M r = Orthorhombic, P a = (10) Å b = (12) Å c = 27.
data reports ISSN 2056-9890 Crystal structure of 3b-acetoxyandrosta- 5,16-dien-17-yl trifluoromethanesulfonate Shengjun Zhou, a Huaqi Huang, b Ting Zhang, b Dangfeng Wang b and Rongbin Huang b * a Hangzhou
Διαβάστε περισσότεραSupporting Information. Palladium Complexes with Bulky Diphosphine. Synthesis of (Bio-) Adipic Acid from Pentenoic. Acid Mixtures.
Supporting Information Palladium Complexes with Bulky Diphosphine Ligands as Highly Selective Catalysts for the Synthesis of (Bio-) Adipic Acid from Pentenoic Acid Mixtures. Choon Heng Low, James D. Nobbs,*
Διαβάστε περισσότεραExperimental. Crystal data. C 37 H 24 N 2 O 3 M r = Orthorhombic, P a = (1) Å b = (2) Å c = 26.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 1,3-Bis(naphthalen-2-ylmethyl)-1H- anthra[1,2-d]imidazole-2,6,11(3h)- trione Zahra Afrakssou, a Youssef Kandri
Διαβάστε περισσότεραElectronic Supplementary Information (ESI)
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2016 Electronic Supplementary Information (ESI) Cyclopentadienyl iron dicarbonyl (CpFe(CO) 2 ) derivatives
Διαβάστε περισσότεραSupporting Information
Supporting Information Vinylogous elimination/heck coupling/allylation domino reactions: access to 2- substituted 2,3-dihydrobenzofurans and indolines Jianguo Yang, *, Hanjie Mo, Xiuxiu Jin, Dongdong Cao,
Διαβάστε περισσότεραSupporting Information-B. A Facile Iterative Synthesis of 2,5-Terpyrimidinylenes as Non-peptidic α-helical Mimics
Supporting Information-B A Facile Iterative Synthesis of 2,5-Terpyrimidinylenes as on-peptidic α-helical Mimics Laura Anderson, 1,2 Mingzhou Zhou, 1,2 Vasudha Sharma, 2 Jillian M. McLaughlin, 2 Daniel.
Διαβάστε περισσότεραMultifunctinality and Crystal Dynamics of Highly Stable Porous Metal-Organic Framework [Zn 4 O(NTB) 2 ]
Supporting Information Multifunctinality and Crystal Dynamics of Highly Stable Porous Metal-Organic Framework [Zn 4 O(NTB) 2 ] Eun Young Lee, Seung Yeon Jang, and Myunghyun Paik Suh* School of Chemistry,
Διαβάστε περισσότεραEnantioselective Organocatalytic Michael Addition of Isorhodanines. to α, β-unsaturated Aldehydes
Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 2016 Enantioselective Organocatalytic Michael Addition of Isorhodanines to α,
Διαβάστε περισσότεραSupporting Information. Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C H Arylation/Decarboxylation for the. Synthesis of Heteroaromatic Biaryls
Supporting Information Pd()-Catalyzed Decarboxylative Coupling and Tandem C H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls Debkumar andi, Yang-Ming Jhou, Jhen-Yi Lee, Bing-Chiuan
Διαβάστε περισσότεραPhoto-Induced Self-Assembly of Pt(II)-Linked Rings and Cages via the Photolabilization of a Pt(II) Pyridine Bond
Photo-Induced Self-Assembly of Pt(II)-Linked Rings and Cages via the Photolabilization of a Pt(II) Pyridine Bond Ken-ichi Yamashita, Kei-ichi Sato, Masaki Kawano and Makoto Fujita* Contents; Figure S1.
Διαβάστε περισσότεραNH-Type of chiral Ni(II) complexes of glycine Schiff base: design, structural evaluation, reactivity and synthetic applications
Supporting Information NH-Type of chiral Ni(II) complexes of glycine Schiff base: design, structural evaluation, reactivity and synthetic applications Mackenzie Bergagnini, a Kazunobu Fukushi, b Jianlin
Διαβάστε περισσότεραPyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-ring Bithiophenes
SUPPORTING INFORMATION Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-ring Bithiophenes Eric J. Uzelac, Casey B. McCausland, and Seth C. Rasmussen*
Διαβάστε περισσότεραSupporting Information
Supporting Information 1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles - Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation and
Διαβάστε περισσότεραNickel and Platinum PCP Pincer Complexes Incorporating an Acyclic Diaminoalkyl Central Moiety Connecting Imidazole or Pyrazole Rings
ickel and Platinum PCP Pincer Complexes Incorporating an Acyclic Diaminoalkyl Central Moiety Connecting Imidazole or Pyrazole Rings Braulio M. Puerta Lombardi, Rudy M. Braun, Chris Gendy, Chia Yun Chang,
Διαβάστε περισσότερα2-(5-Bromo-1H-indol-3-yl)-4-(4-bromophenyl)-5- (4-chlorobenzoyl)-1H-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate
ISSN 2414-3146 2-(5-Bromo-1H-indol-3-yl)-4-(4-bromophenyl)-5- (4-chlorobenzoyl)-1H-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate Y. AaminaNaaz, a Jayabal Kamalraja, b G. Vimala, a Paramasivam T.
Διαβάστε περισσότεραmetal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 {Bis[2-(diphenylphosphanyl)phenyl] ether-j 2 P,P 0 }(1,1 0 -dibenzyl-1h,1 0 H-4,4 0 - bi-1,2,3-triazole-j
Διαβάστε περισσότεραSupporting Information
One-Pot, Three-Component Assembly of Indoloquinolines: Total Synthesis of Isocryptolepine Alexander V. Aksenov,* Dmitrii A. Aksenov, Naila A. Orazova, Nicolai A. Aksenov, Georgii D. Griaznov, Annelise
Διαβάστε περισσότεραdata reports a molecular salt Structure description
ISSN 2414-3146 N,N,N-Triethylethanaminium 5,11,17,23-tetra-tertbutyl-25-[(ethoxycarbonyl)methoxy]-26,28-dihydroxy-27-oxido-2,8,14,20-tetrathiacalix[4]arene: a molecular salt Received 14 September 2016
Διαβάστε περισσότεραSingle Crystal X-Ray Structure Determination of Compounds 8a, 8b and 11a
Single Crystal X-Ray Structure Determination of Compounds 8a, 8b and 11a General: Preliminary examination and data collection were carried out on an area detecting system (Kappa-CCD; Nonius) using graphite-monochromated
Διαβάστε περισσότεραSynthesis and Biological Evaluation of Novel Acyclic and Cyclic Glyoxamide derivatives as Bacterial Quorum Sensing and Biofilm Inhibitors
Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 2017 Synthesis and Biological Evaluation of Novel Acyclic and Cyclic Glyoxamide
Διαβάστε περισσότεραSupplementary Information. Living Ring-Opening Polymerization of Lactones by N-Heterocyclic Olefin/Al(C 6 F 5 ) 3
Supplementary Information Living Ring-Opening Polymerization of Lactones by N-Heterocyclic Olefin/Al(C 6 F 5 ) 3 Lewis Pairs: Structures of Intermediates, Kinetics, and Mechanism Qianyi Wang, Wuchao Zhao,
Διαβάστε περισσότεραmetal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Chlorido(chlorodiphenylphosphine-jP)- (diphenylpiperidinophosphine-jp)- (g 5 -pentamethylcyclopentadienyl)-
Διαβάστε περισσότεραmetal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 = 91.155 (4) = 108.148 (4) = 111.344 (3) V = 894.09 (7) Å 3 Z =1 Mo K radiation = 17.13 mm 1 T = 295 K 0.41
Διαβάστε περισσότερα2. Experimental. 2.1. Crystal data
data reports ISSN 2056-9890 Crystal structure of N-[(morpholin-4- yl)(thiophen-2-yl)methyl]benzamide S. Arun Prabhu, a M. Suresh, b A. Abdul Jameel, c M. Syed Ali Padusha b and B. Gunasekaran d * a Department
Διαβάστε περισσότεραMouhamadou Birame Diop, a * Libasse Diop a and Allen G. Oliver b
Dimethyl N-cyanodithioiminocarbonate data reports ISSN 2414-3146 Mouhamadou Birame Diop, a * Libasse Diop a and Allen G. Oliver b a Laboratoire de Chimie Minérale et Analytique, Département de Chimie,
Διαβάστε περισσότεραSynthesis, Crystal Structure and Supramolecular Understanding of 1,3,5-Tris(1-phenyl-1H-pyrazol-5- yl)benzenes
Supplementary information Synthesis, Crystal Structure and Supramolecular Understanding of 1,3,5-Tris(1-phenyl-1H-pyrazol-5- yl)benzenes Marcos A. P. Martins 1 *, Alexandre R. Meyer 1, Paulo R. S. Salbego
Διαβάστε περισσότεραSupporting Information. Research Center for Marine Drugs, Department of Pharmacy, State Key Laboratory
Supporting Information Dysiherbols A C and Dysideanone E, Cytotoxic and NF-κB Inhibitory Tetracyclic Meroterpenes from a Dysidea sp. Marine Sponge Wei-Hua Jiao,, Guo-Hua Shi,, Ting-Ting Xu,, Guo-Dong Chen,
Διαβάστε περισσότεραElectronic Supplementary Information (ESI)
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2016 Electronic Supplementary Information (ESI) CPh 3 as a functional group in P-heterocyclic
Διαβάστε περισσότεραZebra reaction or the recipe for heterodimeric zinc complexes synthesis
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 05 Supporting Information Zebra reaction or the recipe for heterodimeric zinc complexes synthesis
Διαβάστε περισσότεραchlorostibine Iou-Sheng Ke and François P. Gabbai Department of Chemistry, Texas A&M University, College Station, TX
σ-donor/acceptor confused ligands: The case of a chlorostibine Iou-Sheng Ke and François P. Gabbai Department of Chemistry, Texas A&M University, College Station, TX 77843-3255. *To whom correspondence
Διαβάστε περισσότεραSelective mono reduction of bisphosphine
Griffith Research Online https://research-repository.griffith.edu.au Selective mono reduction of bisphosphine oxides under mild conditions Author etersson, Maria, Loughlin, Wendy, Jenkins, Ian ublished
Διαβάστε περισσότεραSupporting Information. Copyright Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2008
Supporting Information Copyright Wiley-VC Verlag Gmb & Co. KGaA, 69451 Weinheim, 2008 Copper Complexes of Mono- and Ditopic [(Methylthio)methyl]borates: Missing Links and Linked Systems En Route to Copper
Διαβάστε περισσότεραmetal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 [l-bis(diphenylarsino)methane- 1:2j 2 As:As 0 ]nonacarbonyl- 1j 3 C,2j 3 C,3j 3 C-tricyclohexylphosphine-
Διαβάστε περισσότεραElizabeth M. Horstman, a Jeffery A. Bertke, b Toby J. Woods b * and Paul J. A. Kenis a
research communications ISSN 2056-9890 Crystal structure of a 2:1 piroxicam gentisic acid co-crystal featuring neutral and zwitterionic piroxicam molecules Elizabeth M. Horstman, a Jeffery A. Bertke, b
Διαβάστε περισσότεραmetal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Bis(tetrabutylammonium) bis(3,4,5- trioxocyclopent-1-ene-1,2-dithiolatoj 2 S,S 0 )cadmate(ii) 0.25-hydrate
Διαβάστε περισσότεραSupporting information. An unusual bifunctional Tb-MOF for highly sensing of Ba 2+ ions and remarkable selectivities of CO 2 /N 2 and CO 2 /CH 4
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2015 Supporting information An unusual bifunctional Tb-MOF for highly sensing
Διαβάστε περισσότεραCollege of Life Science, Dalian Nationalities University, Dalian , PR China.
Electronic Supplementary Material (ESI) for New Journal of Chemistry. This journal is The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018 Postsynthetic modification
Διαβάστε περισσότεραSupporting Information
Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 2017 Supporting Information Domino reaction of cyclic sulfamidate imines with
Διαβάστε περισσότεραExperimental. Crystal data
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Enrofloxacin hydrochloride dihydrate Jorge E. Miranda-Calderón, a Lilia Gutiérrez, a Marcos Flores-Alamo, b Ponciano
Διαβάστε περισσότεραSupporting Information
Supporting Information for Pyrene nucleobase conjugates: synthesis, oligonucleotide binding and confocal bioimaging studies Artur Jabłoński 1, Yannic Fritz 2, Hans-Achim Wagenknecht 2, Rafał Czerwieniec
Διαβάστε περισσότεραSUPPORTING INFORMATION. Diastereoselective synthesis of nitroso acetals from (S,E)- -aminated
SUPPORTING INFORMATION for Diastereoselective synthesis of nitroso acetals from (S,E)- -aminated nitroalkenes via multicomponent [4 + 2]/[3 + 2] cycloadditions promoted by LiCl or LiClO 4 Leandro Lara
Διαβάστε περισσότεραTable of Contents 1 Supplementary Data MCD
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2017 Supporting Information for Magnetic circular dichroism and density functional theory
Διαβάστε περισσότεραAn experimental and theoretical study of the gas phase kinetics of atomic chlorine reactions with CH 3 NH 2, (CH 3 ) 2 NH, and (CH 3 ) 3 N
Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 2015 An experimental and theoretical study of the gas phase kinetics of atomic chlorine
Διαβάστε περισσότεραElectronic supplementary information (ESI) Bodipy functionalized ortho-carborane dyads for low-energy photosensitization
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2014 Electronic supplementary information (ESI) Bodipy functionalized ortho-carborane dyads
Διαβάστε περισσότεραStereochemistry and mechanistic insight in the [2 k +2 i +2 i ] annulations of ketenes and imines
Stereochemistry and mechanistic insight in the [2 k +2 i +2 i ] annulations of ketenes and imines Zhanhui Yang, Wei He, Baoxiang Cheng and Jiaxi Xu* State Key Laboratory of Chemical Resource Engineering,
Διαβάστε περισσότεραSupporting Information
Supporting Information Wiley-VCH 27 69451 Weinheim, Germany Supplementary Figure 1. Synthetic results as detected by XRD (Cu-Kα). Simulation pattern of MCM-68 Relative Intensity / a.u. YNU-2P Conventional
Διαβάστε περισσότεραSupporting Information for. Catalytic C H α-trifluoromethylation of α,β-unsaturated Carbonyl Compounds
Supporting Information for Catalytic C H α-trifluoromethylation of α,β-unsaturated Carbonyl Compounds Zhongxue Fang, a Yongquan Ning, a Pengbing Mi, a Peiqiu Liao, a Xihe Bi* a,b a Department of Chemistry,
Διαβάστε περισσότεραTable S1. Summary of data collections and structure refinements for crystals 1Rb-1h, 1Rb-2h, and 1Rb-4h.
Supporting Information [NH 3 CH 3 ] [In SbS 9 SH]: A novel methylamine-directed indium thioantimonate with Rb + ion-exchange property Kai-Yao Wang a,b, Mei-Ling Feng a, Jian-Rong Li a and Xiao-Ying Huang
Διαβάστε περισσότεραCongruence Classes of Invertible Matrices of Order 3 over F 2
International Journal of Algebra, Vol. 8, 24, no. 5, 239-246 HIKARI Ltd, www.m-hikari.com http://dx.doi.org/.2988/ija.24.422 Congruence Classes of Invertible Matrices of Order 3 over F 2 Ligong An and
Διαβάστε περισσότεραSupporting Information. Generation Response. Physics & Chemistry of CAS, 40-1 South Beijing Road, Urumqi , China. China , USA
Supporting Information Pb 3 B 6 O 11 F 2 : A First Noncentrocentric Lead Fluoroborate with Large Second Harmonic Generation Response Hongyi Li, a Hongping Wu, a * Xin Su, a Hongwei Yu, a,b Shilie Pan,
Διαβάστε περισσότεραANNEXE 2 : SPECTRES DE RÉSONANCE MAGNÉTIQUE NUCLÉAIRE
ANNEXE 2 : SPECTRES DE RÉSONANCE MAGNÉTIQUE NUCLÉAIRE 175 4-Oxopentyl acetate (1-9) 27.56 17.91 63.49 39.76 29.86 22.66 2.82 2. 1.97 2.91 2.96 2.9 4. 3.98 3.96 2.47 2.44 2.42 2.7 1.95 1.86 1.84 1.82 1.79
Διαβάστε περισσότεραNitric oxide (NO) reactivity studies on mononuclear Iron(II) complexes supported by a tetradentate Schiff base Ligand
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2016 Nitric oxide (NO) reactivity studies on mononuclear Iron(II) complexes supported by a tetradentate
Διαβάστε περισσότεραC H Activation of Cp* Ligand Coordinated to Ruthenium. Center: Synthesis and Reactivity of a Thiolate-Bridged
Supporting Information C H Activation of Cp* Ligand Coordinated to Ruthenium Center: Synthesis and Reactivity of a Thiolate-Bridged Diruthenium Complex Featuring Fulvene-like Cp* Ligand Xiaoxiao Ji, Dawei
Διαβάστε περισσότεραSupporting Information
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2016 Supporting Information Abnormal N-Heterocyclic Carbene Based Nickel Complex for Catalytic
Διαβάστε περισσότεραElectronic Supplementary Information:
Electronic Supplementary Information: 2 6 5 7 2 N S 3 9 6 7 5 2 S N 3 9 Scheme S. Atom numbering for thione and thiol tautomers of thioacetamide 3 0.6 0. absorbance 0.2 0.0 0.5 0.0 0.05 0.00 N 2 Ar km/mol
Διαβάστε περισσότεραMean bond enthalpy Standard enthalpy of formation Bond N H N N N N H O O O
Q1. (a) Explain the meaning of the terms mean bond enthalpy and standard enthalpy of formation. Mean bond enthalpy... Standard enthalpy of formation... (5) (b) Some mean bond enthalpies are given below.
Διαβάστε περισσότεραCopper-catalyzed formal O-H insertion reaction of α-diazo-1,3-dicarb- onyl compounds to carboxylic acids with the assistance of isocyanide
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2014 Copper-catalyzed formal O-H insertion reaction of α-diazo-1,3-dicarb- onyl compounds to carboxylic
Διαβάστε περισσότεραResurvey of Possible Seismic Fissures in the Old-Edo River in Tokyo
Bull. Earthq. Res. Inst. Univ. Tokyo Vol. 2.,**3 pp.,,3,.* * +, -. +, -. Resurvey of Possible Seismic Fissures in the Old-Edo River in Tokyo Kunihiko Shimazaki *, Tsuyoshi Haraguchi, Takeo Ishibe +, -.
Διαβάστε περισσότεραTable S1 Selected bond lengths [Å] and angles [ ] for complexes 1 8. Complex 1. Complex 2. Complex 3. Complex 4. Complex 5.
Table S1 Selected bond lengths [Å] and angles [ ] for complexes 1 8. Complex 1 Zn(1) O(1) 1.969(2) Zn(1) O(5) 1.989(3) Zn(1) O(6) 1.930(3) Zn(1) O(4) a 1.954(4) Zn(1) O(3) a 2.519(25) O(6) Zn(1) O(4) a
Διαβάστε περισσότεραElectronic Supporting Information. 3-Aminothiophenecarboxylic acid (3-Atc)-induced folding in peptides
Electronic Supplementary Material (ESI for New Journal of Chemistry. This journal is The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2016 Electronic Supporting Information
Διαβάστε περισσότεραSupporting Information for: Intramolecular Hydrogen Bonding-Assisted Cyclocondensation of. 1,2,3-Triazole Synthesis
Supporting Information for: Intramolecular Hydrogen Bonding-Assisted Cyclocondensation of α-diazoketones with Various Amines: A Strategy for Catalytic Wolff 1,2,3-Triazole Synthesis Zikun Wang, a Xihe
Διαβάστε περισσότεραFused Bis-Benzothiadiazoles as Electron Acceptors
Fused Bis-Benzothiadiazoles as Electron Acceptors Debin Xia, a,b Xiao-Ye Wang, b Xin Guo, c Martin Baumgarten,*,b Mengmeng Li, b and Klaus Müllen*,b a MIIT Key Laboratory of ritical Materials Technology
Διαβάστε περισσότεραTunable Ligand Emission of Napthylsalophen Triple-Decker Dinuclear Lanthanide (III) Sandwich Complexes
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2017 Supplemental Information Tunable Ligand Emission of Napthylsalophen Triple-Decker Dinuclear
Διαβάστε περισσότεραBloco A, Cidade Universitária, Ilha do Fundão, Rio de Janeiro, RJ, Brazil. Contents Pages
Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 2016 Supporting Information Copper(II) Catalyzed Synthesis of Novel Helical
Διαβάστε περισσότεραLongitudinal Changes in Component Processes of Working Memory
This Accepted Manuscript has not been copyedited and formatted. The final version may differ from this version. Research Article: New Research Cognition and Behavior Longitudinal Changes in Component Processes
Διαβάστε περισσότεραExperimental. Crystal data. C 15 H 12 BrN 3 O 2 S M r = Trigonal, R3 a = (9) Å c = (5) Å V = (4) Å 3.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 N-[(2S)-2-(4-Bromophenyl)-4-oxo-1,3- thiazolidin-3-yl]pyridine-3-carboxamide Mehmet Akkurt, a *Ísmail Çelik, b
Διαβάστε περισσότεραMulti odd-even effects on cell parameters, melting. points, and optical properties of chiral crystal solids. based on S-naproxen
Electronic Supplementary Material (ESI) for CrystEngComm. This journal is The Royal Society of Chemistry 2015 Supplementary Information Multi odd-even effects on cell parameters, melting points, and optical
Διαβάστε περισσότεραorganic compounds 5-Chloro-3-methyl-4-[3-(4-nitro- phenyl)-4,5-dihydro-1h-pyrazol-5-yl]- 1-phenyl-1H-pyrazole: a chain of fused hydrogen-bonded rings
organic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 5-Chloro-3-methyl-4-[3-(4-nitro- phenyl)-4,5-dihydro-1h-pyrazol-5-yl]- 1-phenyl-1H-pyrazole: a chain of
Διαβάστε περισσότεραSUPPORTING INFORMATION. Pyramidanes: The Covalent Form of the Ionic Compounds
SUPPORTING INFORMATION Pyramidanes: The Covalent Form of the Ionic Compounds Vladimir Ya. Lee, 1 * Olga A. Gapurenko, 2 Yuki Ito, 1 Takahiko Meguro, 1 Haruka Sugasawa, 1 Akira Sekiguchi, 1 *, Ruslan M.
Διαβάστε περισσότεραHeavier chalcogenone complexes of bismuth(iii)trihalides: Potential catalysts for acylative cleavage of cyclic ethers. Supporting Information
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2015 Heavier chalcogenone complexes of bismuth(iii)trihalides: Potential catalysts for acylative
Διαβάστε περισσότεραOptimizing Microwave-assisted Extraction Process for Paprika Red Pigments Using Response Surface Methodology
2012 34 2 382-387 http / /xuebao. jxau. edu. cn Acta Agriculturae Universitatis Jiangxiensis E - mail ndxb7775@ sina. com 212018 105 W 42 2 min 0. 631 TS202. 3 A 1000-2286 2012 02-0382 - 06 Optimizing
Διαβάστε περισσότεραExperimental. Crystal data. C 13 H 17 N 3 O 2 M r = Monoclinic, Cc a = (4) Å b = (4) Å c = (3) Å = 111.
Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 4-[2-(4-Hydroxyphenyl)ethyl]-3-propyl- 1H-1,2,4-triazol-5(4H)-one Experimental Crystal data C 13 H 17 N 3 O 2 M r = 247.30 Monoclinic,
Διαβάστε περισσότεραSupplementary Materials for. Kinetic and Computational Studies on Pd(I) Dimer- Mediated Halogen Exchange of Aryl Iodides
Supplementary Materials for Kinetic and Computational Studies on Pd(I) Dimer- Mediated Halogen Exchange of Aryl Iodides Indrek Kalvet, a Karl J. Bonney, a and Franziska Schoenebeck a * a Institute of Organic
Διαβάστε περισσότεραorganic compounds 78 HeÂctor Novoa de Armas et al. C 24 H 36 O 6 Acta Cryst. (2000). C56, 78±79 Comment Experimental
organic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 In connection with our studies on the synthesis and characterization of bioactive steroids, we determined
Διαβάστε περισσότεραSupporting Information
Supporting Information Molecular Cage Impregnated Palladium Nanoparticles: Efficient, Additive-Free Heterogeneous Catalysts for Cyanation of Aryl Halides. Bijnaneswar Mondal, Koushik Acharyya, Prodip Howlader
Διαβάστε περισσότεραThe Nottingham eprints service makes this work by researchers of the University of Nottingham available open access under the following conditions.
Luevorasirikul, Kanokrat (2007) Body image and weight management: young people, internet advertisements and pharmacists. PhD thesis, University of Nottingham. Access from the University of Nottingham repository:
Διαβάστε περισσότεραA facile and general route to 3-((trifluoromethyl)thio)benzofurans and 3-((trifluoromethyl)thio)benzothiophenes
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2014 A facile and general route to 3-((trifluoromethyl)thio)benzofurans and 3-((trifluoromethyl)thio)benzothiophenes
Διαβάστε περισσότεραElectronic Supplementary Information
Electronic Supplementary Material (ESI) for Polymer hemistry This journal is The Royal Society of hemistry 2011 Phosphoric and Phosphoramidic Acids as Bifunctional atalysts for the Ring-pening Polymerization
Διαβάστε περισσότεραSection 8.3 Trigonometric Equations
99 Section 8. Trigonometric Equations Objective 1: Solve Equations Involving One Trigonometric Function. In this section and the next, we will exple how to solving equations involving trigonometric functions.
Διαβάστε περισσότεραCORDIC Background (2A)
CORDIC Background 2A Copyright c 20-202 Young W. Lim. Permission is granted to copy, distribute and/or modify this document under the terms of the GNU Free Documentation License, Version.2 or any later
Διαβάστε περισσότεραSupporting Information
SUPPORTING INFORMATION FOR: Trialkylstibine complexes of boron, aluminium, gallium and indium trihalides: synthesis, properties and bonding Victoria K. Greenacre, William Levason and Gillian Reid Chemistry,
Διαβάστε περισσότεραSupplementary Information for
Supplentary Information for Aggregation induced blue-shifted ission molecular picture from QM/MM study Qunyan Wu, a Tian Zhang, a Qian Peng,* b Dong Wang, a and Zhigang Shuai* a a Key Loratory of Organic
Διαβάστε περισσότερα