organic compounds 78 HeÂctor Novoa de Armas et al. C 24 H 36 O 6 Acta Cryst. (2000). C56, 78±79 Comment Experimental
|
|
|
- Ιδουμα Μπλέτσας
- 7 χρόνια πριν
- Προβολές:
Transcript
1 organic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN In connection with our studies on the synthesis and characterization of bioactive steroids, we determined the molecular structure of 3-acetoxy-5,6-dihydroxybisnorcholanic acid 22!16 lactone, (I), an intermediate compound in the synthesis of the 3,5,6-triol and 3,5-diol-6-keto compounds. The starting material was the steroidal alkaloid solasodine, isolated from Solanum globiferum Dunae, a plant that grows in the elds of Cuba. These products will be tested as plant growth promoters. The absolute con guration was assumed to be the same as that of previous related structures (Novoa de Armas et al., 1999), and con rmed the one predicted beforehand from the synthetic route. Fig. 1 shows the molecular structure of the title compound, (I), with the corresponding numbering scheme. The C3ÐO31 bond of the acetoxy group is equatorially oriented and ( )- antiperiplanar to the C3ÐC4 bond. The presence of the acetoxy group bonded to C3 does not disturb the chair conformation of the ring A of the steroidal nucleus. Ring A has a highly symmetrical chair conformation with all asymmetry parameters below 6.4 (3) (Duax et al., 1976). Rotational symmetry is dominant, a pseudo-c 2 axis intercepts the C3ÐC4 bond with asymmetry parameters C 2 (C3ÐC4) = 3.2 (3), C S (C1) = 4.4 (2) and C S (C3) = 0.7 (2). The average magnitude of the torsion angles is (12). Rings B 3b-Acetoxy-5a,6b-dihydroxybisnorcholanic acid 22!16 lactone HeÂctor Novoa de Armas, a *² Oswald M. Peeters, a Norbert M. Blaton, a Camiel J. De Ranter, a RamoÂn PomeÂs HernaÂndez, b Jose L. Mola, c Carlos SerafõÂn PeÂrez, c Leticia SuaÂrez GarcõÂa, c MartõÂn A. Iglesias c and Francisco Coll Manchado c a Laboratorium voor Analytische Chemie en Medicinale Fysicochemie, Faculteit Farmaceutische Wetenschappen, Katholieke Universiteit Leuven, Van Evenstraat 4, B-3000 Leuven, Belgium, b Centro Nacional de Investigaciones CientõÂficas, DivisioÂn de QuõÂmica, Apartado 6990, La Habana, Cuba, and c Laboratorio de Productos Naturales, Facultad de QuõÂmica, Universidad de La Habana, Apartado 10400, La Habana, Cuba Correspondence hector.novoa@farm.kuleuven.ac.be Received 6 July 1999 Accepted 1 September 1999 In the title compound, C 24 H 36 O 6, the ester linkage in ring A is equatorial. The six-membered rings A, B and C have chair conformations. The ve-membered ring D adopts a 13,14half-chair conformation and the E ring adopts an envelope conformation. The A/B, B/C and C/D ring junctions are trans, whereas the D/E junction is cis. and C have chair conformations, as expected (Pfeiffer et al., 1985). The ve-membered ring D adopts a 13,14-half-chair conformation (Altona et al., 1968) and the E ring, which has a carbonyl group instead of an additional spiro ring, adopts an envelope conformation with the ap at C17 on the opposite side of the mean plane of ring E to the methyl substituent C21. In related steroids reported in the Cambridge Structural Database (Allen & Kennard, 1993) that have a spirostan F ring (Novoa de Armas et al., 1999), the E ring has a half-chair conformation. The A/B, B/C and C/D ring junctions are trans, whereas the D/E junction is cis. The bond distances and valence angles are close to the expected values (Honda et al., 1996). The packing of the molecules is assumed to be dictated mainly by intermolecular OÐHO hydrogen bonds, and by intermolecular CÐHO interactions (Taylor & Kennard, Comment ² On leave from: Centro de QuõÂmica FarmaceÂutica, Departamento de AnaÂlisis, Apartado 16042, La Habana, Cuba. Figure 1 Plot showing the atomic numbering scheme. Displacement ellipsoids are drawn at the 50% probability level for non-h atoms; H atoms have been omitted for clarity. 1982). The molecules are linked into an in nite two-dimensional network, with base vectors [100] and [010], by means of the OÐHO hydrogen bonds (Table 2). Experimental The starting material was the steroidal alkaloid solasodine. The alkaloid was transformed to 3,16-dihydroxy-5-bisnorcholenic acid 22!16 lactone, dissolved in dry pyridine with Ac 2 O, and converted to the 3-acetate. The acetate was treated with m-chloroperoxybenzoic acid in CH 2 Cl 2 to give a mixture of the and epoxides, with about 30% of the component. Upon treatment with 60% HClO 4 in aqueous acetone, the mixture yielded (I) with a melting point of 536± 538 K. Crystals were grown by slow evaporation from ethanol. 78 HeÂctor Novoa de Armas et al. C 24 H 36 O 6 Acta Cryst. (2000). C56, 78±79
2 organic compounds Crystal data C 24 H 36 O 6 M r = Orthorhombic, P a = (4) A Ê b = (5) A Ê c = (4) A Ê V = (3) A Ê 3 Z =4 D x = Mg m 3 Cu K radiation Data collection Siemens P4 four-circle diffractometer!/2 scans Absorption correction: scan (North et al., 1968) T min = 0.679, T max = measured re ections 2865 independent re ections 2668 re ections with F 2 >2(F 2 ) Re nement Re nement on F 2 R[F 2 >2(F 2 )] = wr(f 2 ) = S = re ections 278 parameters H-atom parameters constrained = A Ê Cell parameters from 42 re ections = 5.03±28.80 = mm 1 T = 293 K Prism, colourless mm R int = max = h = 1! 6 k = 1! 11 l = 1! 42 3 standard re ections every 100 re ections intensity decay: 4.0% w = 1/[ 2 (F o 2 ) + (0.0791P) P] where P =(F o 2 +2F c 2 )/3 (/) max = max = 0.39 e A Ê 3 min = 0.24 e A Ê 3 Extinction correction: SHELXL97 (Sheldrick, 1997) Extinction coef cient: (5) Table 2 Hydrogen-bonding geometry (A Ê, ). DÐHA DÐH HA DA DÐHA O5ÐH5O32 i (4) 173 O6ÐH6O5 ii (3) 150 C3ÐH3O6 iii (4) 155 C16ÐH16O23 iv (3) 131 Symmetry codes: (i) 1 x; y 1 2 ; 1 2 z; (ii) x 1; y; z; (iii) 1 x; y; z; (iv) 1 2 x; 3 2 y; 1 z. Data collection: XSCANS (Siemens, 1996); cell re nement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to re ne structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Bergerhoff, 1996); software used to prepare material for publication: PLATON (Spek, 1990) and PARST (Nardelli, 1983, 1995). This work was supported in part by the `Administration Generale de la Cooperation au Developpement, AGCD' (Matricule: ) from the Belgian Government (ABOS-AGCD) and K. U. Leuven. Supplementary data for this paper are available from the IUCr electronic archives (Reference: LN1086). Services for accessing these data are described at the back of the journal. H atoms were calculated geometrically and included in the re nement, but were constrained to ride on their parent atoms. The isotropic displacement parameters of the H atoms were xed to 1.3 times U eq of their parent atoms. The number of unique re ections is The number of Friedel related pairs is 574. Table 1 Selected geometric parameters (A Ê, ). O5ÐC (3) O6ÐC (4) O22ÐC (4) O23ÐC (3) C16ÐO23ÐC (2) C3ÐO31ÐC (3) O31ÐC3ÐC (2) O31ÐC3ÐC (2) O5ÐC5ÐC (19) O5ÐC5ÐC (2) O5ÐC5ÐC (2) O6ÐC6ÐC (2) O6ÐC6ÐC (2) O23ÐC (3) O31ÐC (3) O31ÐC (5) O32ÐC (5) O23ÐC16ÐC (16) O23ÐC16ÐC (2) O22ÐC22ÐC (3) O23ÐC22ÐC (2) O22ÐC22ÐO (3) O32ÐC32ÐC (4) O31ÐC32ÐO (3) O31ÐC32ÐC (4) References Allen, F. H. & Kennard, O. (1993). Chem. Des. Autom. News, 8, 31±37. Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435. Altona, C., Geise, H. J. & Romers, C. (1968). Tetrahedron, 24, 13±32. Bergerhoff, G. (1996). DIAMOND. Gerhard-Domagk-Strasse 1, Bonn, Germany. Duax, W. L., Weeks, C. M. & Rohrer, D. C. (1976). Topics in Stereochemistry, Vol. 9, edited by E. L. Eliel & N. Allinger, pp. 271±283. New York: John Wiley. Honda, T., Fujii, I., Hirayama, N., Ishikawa, D., Kawagishi, H., Song, K.-S. & Yoo, I.-D. (1996). Acta Cryst. C52, 1550±1552. Nardelli, M. (1983). Comput. Chem. 7, 95±98. Nardelli, M. (1995). J. Appl. Cryst. 28, 659. North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351± 359. Novoa de Armas, H., Blaton, N. M., Peeters, O. M., De Ranter, C. J., PomeÂs HernaÂndez, R., Iglesias Arteagas, M., PeÂrez Gil, R. & Coll Manchado, F. (1999). Acta Cryst. C55, 601±603. Pfeiffer, D., Kutschabsky, L., Kretschmer, R. G., Collect, F. & Adam, G. (1985). Z. Chem. 25, 183±184. Sheldrick, G. M. (1997). SHELXL97. Program for the Re nement of Crystal Structures. University of GoÈttingen, Germany. Siemens (1996). XSCANS. X-ray Single Crystal Analysis System. Version 2.2. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA. Spek, A. L. (1990). Acta Cryst. A46, C-34. Taylor, R. & Kennard, O. (1982). J. Am. Chem. Soc. 104, 5063±5070. Acta Cryst. (2000). C56, 78±79 HeÂctor Novoa de Armas et al. C 24 H 36 O 6 79
3 supporting information [doi: /s ] 3β-Acetoxy-5α,6β-dihydroxybisnorcholanic acid 22[\rightarrow]16 lactone Héctor Novoa de Armas, Oswald M. Peeters, Norbert M. Blaton, Camiel J. De Ranter, Ramón Pomés Hernández, José L. Mola, Carlos Serafín Pérez, Leticia Suárez García, Martín A. Iglesias and Francisco Coll Manchado Computing details Data collection: XSCANS (Siemens, 1996); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Bergerhoff, 1996); software used to prepare material for publication: PLATON (Spek, 1990) and PARST (Nardelli, 1983, 1995). 3β-acetoxy-5α,6β-dihydroxy-bisnorcholanic acid 22\rigtharrow16 lactone Crystal data C 24 H 36 O 6 M r = Orthorhombic, P a = (4) Å b = (5) Å c = (4) Å V = (3) Å 3 Z = 4 F(000) = 912 Data collection Siemens P4 four-circle diffractometer ω/2θ scans Absorption correction: ψ scan (North et al., 1968) T min = 0.679, T max = measured reflections 2865 independent reflections Refinement Refinement on F 2 Least-squares matrix: full R[F 2 > 2σ(F 2 )] = wr(f 2 ) = S = reflections 278 parameters H-atom parameters constrained D x = Mg m 3 Cu Kα radiation, λ = Å Cell parameters from 42 reflections θ = µ = 0.73 mm 1 T = 293 K Prism, colourless mm 2668 reflections with F 2 > 2σ(F 2 ) R int = θ max = 69.1 h = 1 6 k = 1 11 l = standard reflections every 100 reflections intensity decay: 4.0% w = 1/[σ 2 (F o2 ) + (0.0791P) P] where P = (F o 2 + 2F c2 )/3 (Δ/σ) max = Δρ max = 0.39 e Å 3 Δρ min = 0.24 e Å 3 Extinction correction: SHELXL97 (Sheldrick, 1997), Fc * =kfc[ xfc 2 λ 3 /sin((2θ)] -1/4 Extinction coefficient: (5) sup-1
4 Special details Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All e.s.d.'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 Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 ) x y z U iso */U eq C (5) (3) (7) (8)* C (5) (3) (7) (9)* C (5) (3) (7) (8)* C (5) (3) (7) (8)* O (3) (2) (5) (6)* C (4) (3) (6) (7)* O (3) (3) (5) (8)* C (5) (3) (7) (8)* C (5) (3) (7) (9)* C (4) (2) (6) (8)* C (4) (2) (6) (7)* C (4) (3) (6) (7)* C (5) (3) (7) (8)* C (4) (3) (7) (8)* C (4) (2) (6) (7)* C (4) (2) (6) (7)* C (4) (3) (6) (7)* C (4) (2) (7) (7)* C (4) (2) (6) (7)* C (5) (3) (7) (8)* C (5) (3) (7) (8)* C (4) (3) (6) (7)* C (5) (3) (7) (9)* O (4) (2) (7) (8)* C (5) (3) (7) (8)* O (3) (2) (5) (6)* O (4) (2) (5) (7)* O (5) (4) (8) (1)* C (7) (4) (9) (1)* C (8) (4) (9) (2)* H1A * H1B * H2A * H2B * H * H4A * H4B * H * H * H6A * sup-2
5 H7A * H7B * H * H * H11A * H11B * H12A * H12B * H * H15A * H15B * H * H * H18A * H18B * H18C * H19A * H19B * H19C * H * H21A * H21B * H21C * H33A * H33B * H33C * Atomic displacement parameters (Å 2 ) U 11 U 22 U 33 U 12 U 13 U 23 C (2) (1) (1) (1) (1) (1) C (2) (2) (1) (2) (1) (1) C (2) (2) (1) (2) (1) (1) C (2) (1) (1) (1) (1) (1) O (1) (1) (1) (1) (9) (8) C (1) (1) (1) (1) (1) (1) O (1) (2) (9) (1) (9) (1) C (2) (1) (1) (1) (1) (1) C (2) (1) (1) (1) (1) (1) C (1) (1) (1) (1) (1) (9) C (1) (1) (1) (1) (1) (9) C (1) (1) (1) (1) (1) (9) C (2) (1) (1) (1) (1) (1) C (2) (1) (1) (1) (1) (1) C (1) (1) (1) (1) (1) (9) C (1) (1) (1) (1) (1) (9) C (2) (1) (1) (1) (1) (1) C (1) (1) (1) (1) (1) (9) sup-3
6 C (1) (1) (1) (1) (1) (9) C (2) (1) (1) (1) (1) (1) C (2) (2) (1) (2) (1) (1) C (2) (1) (1) (1) (1) (1) C (2) (2) (1) (2) (1) (1) O (1) (1) (1) (1) (1) (1) C (2) (1) (1) (1) (1) (1) O (1) (9) (9) (9) (9) (8) O (1) (1) (8) (1) (9) (8) O (2) (3) (2) (2) (2) (2) C (3) (2) (2) (2) (2) (1) C (4) (2) (2) (3) (2) (2) Geometric parameters (Å, º) O5 C (3) C32 C (5) O6 C (4) C1 H1A O22 C (4) C1 H1B O23 C (3) C2 H2A O23 C (3) C2 H2B O31 C (3) C3 H O31 C (5) C4 H4A O32 C (5) C4 H4B O5 H C6 H6A O6 H C7 H7A C1 C (4) C7 H7B C1 C (4) C8 H C2 C (4) C9 H C3 C (4) C11 H11A C4 C (3) C11 H11B C5 C (4) C12 H12A C5 C (4) C12 H12B C6 C (4) C14 H C7 C (3) C15 H15A C8 C (3) C15 H15B C8 C (3) C16 H C9 C (3) C17 H C9 C (3) C18 H18A C10 C (4) C18 H18B C11 C (3) C18 H18C C12 C (4) C19 H19A C13 C (4) C19 H19B C13 C (3) C19 H19C C13 C (3) C20 H C14 C (3) C21 H21A C15 C (3) C21 H21B C16 C (3) C21 H21C C17 C (3) C33 H33A sup-4
7 C20 C (3) C33 H33B C20 C (4) C33 H33C C16 O23 C (2) C4 C3 H C3 O31 C (3) C3 C4 H4A C5 O5 H C3 C4 H4B C6 O6 H C5 C4 H4A C2 C1 C (2) C5 C4 H4B C1 C2 C (2) H4A C4 H4B C2 C3 C (2) O6 C6 H6A O31 C3 C (2) C5 C6 H6A O31 C3 C (2) C7 C6 H6A C3 C4 C (2) C6 C7 H7A O5 C5 C (19) C6 C7 H7B O5 C5 C (2) C8 C7 H7A O5 C5 C (2) C8 C7 H7B C6 C5 C (2) H7A C7 H7B C4 C5 C (2) C7 C8 H C4 C5 C (2) C9 C8 H O6 C6 C (2) C14 C8 H O6 C6 C (2) C8 C9 H C5 C6 C (2) C10 C9 H C6 C7 C (2) C11 C9 H C7 C8 C (2) C9 C11 H11A C9 C8 C (18) C9 C11 H11B C7 C8 C (17) C12 C11 H11A C8 C9 C (2) C12 C11 H11B C8 C9 C (19) H11A C11 H11B C10 C9 C (19) C11 C12 H12A C1 C10 C (2) C11 C12 H12B C1 C10 C (2) C13 C12 H12A C5 C10 C (2) C13 C12 H12B C9 C10 C (2) H12A C12 H12B C5 C10 C (19) C8 C14 H C1 C10 C (2) C13 C14 H C9 C11 C (2) C15 C14 H C11 C12 C (2) C14 C15 H15A C12 C13 C (2) C14 C15 H15B C12 C13 C (2) C16 C15 H15A C12 C13 C (2) C16 C15 H15B C17 C13 C (2) H15A C15 H15B C14 C13 C (15) O23 C16 H C14 C13 C (2) C15 C16 H C8 C14 C (16) C17 C16 H C8 C14 C (19) C13 C17 H C13 C14 C (19) C16 C17 H C14 C15 C (2) C20 C17 H C15 C16 C (19) C13 C18 H18A sup-5
8 O23 C16 C (16) C13 C18 H18B O23 C16 C (2) C13 C18 H18C C13 C17 C (18) H18A C18 H18B C13 C17 C (18) H18A C18 H18C C16 C17 C (2) H18B C18 H18C C17 C20 C (2) C10 C19 H19A C17 C20 C (2) C10 C19 H19B C21 C20 C (2) C10 C19 H19C O22 C22 C (3) H19A C19 H19B O23 C22 C (2) H19A C19 H19C O22 C22 O (3) H19B C19 H19C O32 C32 C (4) C17 C20 H O31 C32 O (3) C21 C20 H O31 C32 C (4) C22 C20 H C2 C1 H1A C20 C21 H21A C2 C1 H1B C20 C21 H21B C10 C1 H1A C20 C21 H21C C10 C1 H1B H21A C21 H21B H1A C1 H1B H21A C21 H21C C1 C2 H2A H21B C21 H21C C1 C2 H2B C32 C33 H33A C3 C2 H2A C32 C33 H33B C3 C2 H2B C32 C33 H33C H2A C2 H2B H33A C33 H33B O31 C3 H H33A C33 H33C C2 C3 H H33B C33 H33C C22 O23 C16 C (2) C14 C8 C9 C (2) C16 O23 C22 O (2) C14 C8 C9 C (18) C22 O23 C16 C (2) C7 C8 C9 C (2) C16 O23 C22 C (3) C8 C9 C10 C (3) C32 O31 C3 C (3) C8 C9 C10 C (2) C3 O31 C32 C (3) C11 C9 C10 C (3) C32 O31 C3 C (4) C8 C9 C10 C (2) C3 O31 C32 O (6) C10 C9 C11 C (2) C2 C1 C10 C (3) C11 C9 C10 C (2) C2 C1 C10 C (2) C8 C9 C11 C (3) C10 C1 C2 C (3) C11 C9 C10 C (3) C2 C1 C10 C (3) C9 C11 C12 C (3) C1 C2 C3 O (2) C11 C12 C13 C (2) C1 C2 C3 C (3) C11 C12 C13 C (3) C2 C3 C4 C (3) C11 C12 C13 C (3) O31 C3 C4 C (2) C18 C13 C17 C (3) C3 C4 C5 O (3) C18 C13 C14 C (2) C3 C4 C5 C (3) C18 C13 C14 C (3) C3 C4 C5 C (2) C18 C13 C17 C (2) C4 C5 C10 C (3) C17 C13 C14 C (2) C4 C5 C6 O (3) C17 C13 C14 C (2) sup-6
9 C10 C5 C6 O (3) C12 C13 C17 C (2) C4 C5 C6 C (2) C14 C13 C17 C (2) C6 C5 C10 C (2) C14 C13 C17 C (2) O5 C5 C6 C (3) C12 C13 C14 C (18) C10 C5 C6 C (3) C12 C13 C17 C (3) C4 C5 C10 C (2) C12 C13 C14 C (3) C4 C5 C10 C (3) C8 C14 C15 C (19) O5 C5 C10 C (2) C13 C14 C15 C (2) O5 C5 C6 O (2) C14 C15 C16 O (19) O5 C5 C10 C (2) C14 C15 C16 C (2) O5 C5 C10 C (19) C15 C16 C17 C (19) C6 C5 C10 C (3) O23 C16 C17 C (2) C6 C5 C10 C (3) C15 C16 C17 C (2) C5 C6 C7 C (3) O23 C16 C17 C (2) O6 C6 C7 C (3) C16 C17 C20 C (2) C6 C7 C8 C (3) C13 C17 C20 C (2) C6 C7 C8 C (2) C16 C17 C20 C (2) C7 C8 C9 C (2) C13 C17 C20 C (3) C9 C8 C14 C (3) C21 C20 C22 O (4) C7 C8 C14 C (2) C21 C20 C22 O (2) C9 C8 C14 C (2) C17 C20 C22 O (3) C7 C8 C14 C (3) C17 C20 C22 O (3) Hydrogen-bond geometry (Å, º) D H A D H H A D A D H A O5 H5 O32 i (4) 173 O6 H6 O5 ii (3) 150 C3 H3 O6 iii (4) 155 C16 H16 O23 iv (3) 131 Symmetry codes: (i) x+1, y 1/2, z+1/2; (ii) x 1, y, z; (iii) x+1, y, z; (iv) x+1/2, y+3/2, z+1. sup-7
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
metal-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
Triclinic, 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,
organic papers 7,8-Dihydroxy-3-methyl-10-oxo-1H,10Hpyrano[4,3-b]chromene-9-carboxylic
![organic papers 7,8-Dihydroxy-3-methyl-10-oxo-1H,10Hpyrano[4,3-b]chromene-9-carboxylic](/thumbs/91/105777620.jpg "organic 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
Supplementary 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
Experimental. 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
data 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
metal-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
Synthesis 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)
Enantioselective 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
metal-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*
2. 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
IV. 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
Experimental. 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
2-Carboxyquinolinium-2,4,6-trinitrobenzenesulfonatequinolinium-2-carboxylate
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
metal-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)
Cycloaddition of Homochiral Dihydroimidazoles: A 1,3-Dipolar Cycloaddition Route to Optically Active Pyrrolo[1,2-a]imidazoles
![Cycloaddition of Homochiral Dihydroimidazoles: A 1,3-Dipolar Cycloaddition Route to Optically Active Pyrrolo[1,2-a]imidazoles](/thumbs/89/100111450.jpg "Cycloaddition 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
metal-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
Multifunctinality and Crystal Dynamics of Highly Stable Porous Metal-Organic Framework [Zn 4 O(NTB) 2 ]
![Multifunctinality and Crystal Dynamics of Highly Stable Porous Metal-Organic Framework [Zn 4 O(NTB) 2 ]](/thumbs/92/109256432.jpg "Multifunctinality 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,
Single 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
Supplementary 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
metal-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
Supporting 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
Nickel 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,
Supporting 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,
Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-ring Bithiophenes
![Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-ring Bithiophenes](/thumbs/92/108867714.jpg "Pyrrolo[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*
Experimental. 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
Supporting 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,*
organic 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 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](/thumbs/82/86135443.jpg "organic 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
chlorostibine 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
Supporting 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
Electronic 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
Enantioselective 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,
NH-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
Zebra 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
2. 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
Supporting 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
Photo-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.
Supporting 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
Experimental. 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
Patrycja 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
Synthesis, 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
Experimental. 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
Nitric 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
metal-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-
Mouhamadou 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,
College 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
Table 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. Complex 2. Complex 3. Complex 4. Complex 5.](/thumbs/65/53614116.jpg "Table 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
metal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Chlorido(chlorodiphenylphosphine-jP)- (diphenylpiperidinophosphine-jp)- (g 5 -pentamethylcyclopentadienyl)-
Electronic 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
Supporting 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
Elizabeth 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
Table 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
Stereochemistry 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](/thumbs/83/87678994.jpg "Stereochemistry 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,
Supplementary 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,
Supporting 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,
metal-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
Supporting 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.
2-(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.
Supporting 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
data 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
SUPPORTING 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
Supporting 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,
Mohamed Amedjkouh, Jacques Grimaldi, Jean-Pierre Reboul and Didier Siri
electronic papers Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 Diethyl [(2RS,5RS)-5-isopropyl-2,3,3-trimethylpyrrolidin-2-yl]phosphonate Mohamed Amedjkouh, Jacques Grimaldi,
Electronic 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
Supporting 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
C 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
Supplementary Materials: Exploration of vanadate selenites Solid Phase Space, crystal structures and polymorphism
Supplementary Materials: Exploration of vanadate selenites Solid Phase Space, crystal structures and polymorphism Vadim M. Kovrugin a,b, Marie Colmont a, Oleg I. Siidra b, Sergey V. Krivovichev b, Olivier
Supporting 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
Table 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
Supporting Information
Supporting Information On the Ambiguity of 1,3,2-Benzodiazaboroles as Donor/Acceptor unctionalities in Luminescent Molecules Lothar Weber *[a], Johannes Halama [a], Kenny Hanke [a], Lena Böhling [a], Andreas
Supporting 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
Heavier 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
ANNEXE 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
Electronic 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
10-π-electron arenes à la carte: Structure. Sr, Ba; n = 6-8) complexes
Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 2016 Supporting information 10-π-electron arenes à la carte: Structure and Bonding of
Supporting 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,
Supplementary Figure S1. Single X-ray structure 3a at probability ellipsoids of 20%.
Supplementary Figure S1. Single X-ray structure 3a at probability ellipsoids of 20%. S1 Supplementary Figure S2. Single X-ray structure 5a at probability ellipsoids of 20%. S2 H 15 Ph Ac Ac I AcH Ph Ac
Supplementary 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
Synthesis 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
Engineering Tunable Single and Dual Optical. Emission from Ru(II)-Polypyridyl Complexes. Through Excited State Design
Engineering Tunable Single and Dual Optical Emission from Ru(II)-Polypyridyl Complexes Through Excited State Design Supplementary Information Julia Romanova 1, Yousif Sadik 1, M. R. Ranga Prabhath 1,,
Supporting Information
Supporting Information Aluminum Complexes of N 2 O 2 3 Formazanate Ligands Supported by Phosphine Oxide Donors Ryan R. Maar, Amir Rabiee Kenaree, Ruizhong Zhang, Yichen Tao, Benjamin D. Katzman, Viktor
Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships. or W, and D = P or V)
Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A 3 B 3 CD 2 O 14 Family (A = Sr, Ba or Pb; B = Mg or Zn; C = Te or W, and D = P or V) Hongwei Yu, Joshua Young,
Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C. This journal is The Royal Society of Chemistry 2016 KPb 2 (PO 3 ) 5 : A Novel Nonlinear Optical Lead Polyphosphate with Short
SUPPORTING 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.
Supporting 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,
stability and aromaticity in the benzonitrile H 2 O complex with Na+ or Cl
Electronic Supplementary Data A theoretical investigation on the cooperativity effect, reduced density gradient, stability and aromaticity in the benzonitrile H 2 O complex with Na+ or Cl Jiang-Bo Xie
Mean 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.
Experimental. 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,
Supporting 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
Supporting Information
Supporting Information Molecular Cage Impregnated Palladium Nanoparticles: Efficient, Additive-Free Heterogeneous Catalysts for Cyanation of Aryl Halides. Bijnaneswar Mondal, Koushik Acharyya, Prodip Howlader
Supplementary 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
metal-organic papers Aquaoxobis(quinoline-2-carboxylato-N,O)- vanadium(iv) ethanol hemisolvate Comment
metal-organic papers Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Aquaoxobis(quinoline-2-carboxylato-N,O)- vanadium(iv) ethanol hemisolvate Nobuo Okabe* and Yasunori Muranishi
Bloco 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
Tunable 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
An 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
Carbohydrates in the gas phase: conformational preference of D-ribose and 2-deoxy-D-ribose
New J. Chem ELECTRONIC SUPPLEMENTARY INFORMATION Carbohydrates in the gas phase: conformational preference of D-ribose and 2-deoxy-D-ribose Luis Miguel Azofra,*, María Mar Quesada-Moreno, Ibon Alkorta,
Electronic Supplementary Information
Electronic Supplementary Information Unprecedented Carbon-Carbon Bond Cleavage in Nucleophilic Aziridine Ring Opening Reaction, Efficient Ring Transformation of Aziridines to Imidazolidin-4-ones Jin-Yuan
Synthesis, Characterization, and Computational Study of Three-Coordinate SNS-Copper(I) Complexes Based on Bis-Thione Precursors
For Synthesis, Characterization, and Computational Study of Three-Coordinate SNS-Copper(I) Complexes Based on Bis-Thione Precursors John R. Miecznikowski a *; Matthew A. Lynn b ; Jerry P. Jasinski c ;
Electronic Supplementary Information
Electronic Supplementary Information NbCl 3 -catalyzed [2+2+2] intermolecular cycloaddition of alkynes and alkenes to 1,3-cyclohexadiene derivatives Yasushi Obora,* Keisuke Takeshita and Yasutaka Ishii*