共查询到20条相似文献,搜索用时 31 毫秒
1.
A. Jeyabharathi M. N. Ponnuswamy S. Nanjundan Hoong‐Kun Fun Suchada Chantrapromma Anwar Usman Ibrahim Abdul Razak 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o26-o28
Chalcones (α,β‐unsaturated ketones) are effective antitumour agents. It has been proved that having halogen or methoxy groups substituted in various positions of the phenyl ring enhances the activity of chalcones many times. The title compounds, C21H20O5 and C19H15BrO3, respectively, were chosen for crystallographic study in order to determine their structures and conformations. In both compounds, the keto group is in the s‐cis conformation and is almost planar. There are weak intramolecular interactions in both structures. 相似文献
2.
Lars Eriksson Roland Stenutz Gran Widmalm 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):702-704
The crystal structure of methyl 4‐O‐β‐l ‐fucopyranosyl α‐d ‐glucopyranoside hemihydrate C13H24O10·0.5H2O is organized in sheets with antiparallel strands, where hydrophobic interaction accounts for partial stabilization. Infinite hydrogen‐bonding networks are observed within each layer as well as between layers; some of these hydrogen bonds are mediated by water molecules. The conformation of the disaccharide is described by the glycosidic torsion angles: ?H = ?6.1° and ψH = 34.3°. The global energy minimum conformation as calculated by molecular mechanics in vacuo has ?H = ?58° and ψH = ?20°. Thus, quite substantial changes are observed between the in vacuo structure and the crystal structure with its infinite hydrogen‐bonding networks. 相似文献
3.
Daniel Vega Daniel Fernndez Javier A. Ellena 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1092-1094
The title compound, raloxifene hydrochloride, C28H28NO4S+·Cl?, belongs to the benzothiophene class of antiosteoporotic drugs. In the molecular cation, the 2‐phenol ring sustains a dihedral angle of 45.3 (1)° relative to the benzo[b]thiophene system. The benzo[b]thiophene and phenyl ring planes are twisted with respect to the carbonyl plane, with the smallest twist component occurring between the phenyl and carbonyl planes. The N atom bears the positive charge in the molecular cation and the piperidine ring adopts an almost perfect chair conformation. The Cl? anion is involved in the formation of N—H?Cl and O—H?Cl intermolecular hydrogen bonds, which lead to the formation of a layer of molecular cations. 相似文献
4.
Alexander J. Blake Peter Hubberstey Alexander D. Mackrell Claire Wilson 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o293-o297
The trans–trans conformations adopted by the derivatized bis(bidentate) chelating N4‐donor ligand 3,6‐bis(pyrazol‐1‐yl)‐4‐[2‐(4‐thiamorpholino)ethanesulfanyl]pyridazine, C16H19N7S2, and an intermediate in its formation, 3,6‐dichloro‐4‐[2‐(4‐thiamorpholino)ethanesulfanyl]pyridazine, C10H13Cl2N3S2, contrast with the cis–cis conformation found previously for 3,6‐bis(thiophen‐2‐yl)pyridazine [Ackers, Blake, Hill & Hubberstey (2002). Acta Cryst. C 58 , o640–o641], which places all four heteroatoms on the same side of the molecule. 相似文献
5.
S. Thamotharan V. Parthasarathi R. Malik D. P. Jindal P. Piplani Anthony Linden 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):o514-o515
The title compound, C12H12N2O5, is a potential antiamnesic agent. The pyrrolidinone ring has an envelope conformation, and the central moiety is almost coplanar with the planes of the phenyl and pyrrolidinone rings. In the crystal structure, weak intermolecular C—H...O interactions link the molecules into a complex network that can be described by (X) rings (X = 16, 20 and 26) and a C(12) chain. 相似文献
6.
Simon J. Garden Marilza B. Corrêa Angelo C. Pinto James L. Wardell John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o234-o238
In ethyl N‐[2‐(hydroxyacetyl)phenyl]carbamate, C11H13NO4, all of the non‐H atoms lie on a mirror plane in the space group Pnma; the molecules are linked into simple chains by a single C—H⋯O hydrogen bond. The molecules of ethyl N‐[2‐(hydroxyacetyl)‐4‐iodophenyl]carbamate, C11H12INO4, are linked into sheets by a combination of O—H⋯I and C—H⋯O hydrogen bonds and a dipolar I⋯O contact. Ethyl N‐[2‐(hydroxyacetyl)‐4‐methylphenyl]carbamate, C12H15NO4, crystallizes with Z′ = 2 in the space group P; pairs of molecules are weakly linked by an O—H⋯O hydrogen bond and these aggregates are linked into chains by two independent aromatic π–π stacking interactions. 相似文献
7.
Huub Kooijman Anthony L. Spek Marcel Hoogenraad Elisabeth Bouwman Jaap G. Haasnoot Jan Reedijk 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):m390-m392
The title compound, tris[2‐(4,5‐dihydrooxazol‐2‐yl‐κN)phenolato‐κO]iron(III), [Fe(C9H8NO2)3], is disordered over a non‐crystallographic twofold rotation axis perpendicular to the crystallographic threefold rotation axis. The disorder can be a pure rotational disorder of an iron complex in the facial configuration, or the consequence of a mixture of facial and meridional configurations. In the latter case, at least 25% of the iron complexes must adopt the facial configuration in order to obtain the disorder ratio observed in the crystal. 相似文献
8.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):843-845
The title compound, 2‐hydroxy‐1‐(phenylsulfonyl)spiro[cyclopentene‐4,9′‐[9H]fluoren]‐3‐one, C23H16O4S, crystallized in the centrosymmetric space group P21/n with one molecule as the asymmetric unit. The hydroxyl‐H atom is ordered and participates in a single intramolecular hydrogen bond and in a single intermolecular hydrogen bond, in which the OD—H distance is 0.90 (2), H?OA is 2.34 (3), OD?OA is 2.987 (2) Å and OD—H?OA is 129 (2)°. The intermolecular hydrogen bond forms an R(12) cyclic dimer about a center of symmetry. There are six leading C—H?O interactions. Taken together, these interactions form a three‐dimensional network. Structural comparisons are made with tetrabenzodispiro[4.0.4.3]tridecatetraene. 相似文献
9.
Ivn Brito Matías Lpez‐Rodríguez Alejandro Crdenas Danitza Vargas 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o461-o463
In the title compound, C10H11N3O5S, the 2,4‐dinitrophenyl fragment is connected by an S atom to the morpholine ring, which is in a chair conformation. The ortho‐ and para‐nitro groups are slightly twisted out of the plane of the benzene ring. The molecules are linked into C(7) and C(10) chains by two intermolecular C—H⋯O hydrogen bonds. 相似文献
10.
Ilia A. Guzei Benjamin C. Gorske Helen E. Blackwell 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):o286-o288
The title compound, C10H8F5NO, crystallizes as a racemate with four symmetry‐independent molecules in the asymmetric unit. The four molecules form two hydrogen‐bonded pairs. Each pair is a building unit of an independent C(4) chain propagating parallel to the ab plane. 相似文献
11.
Xiang‐Jin Xie Xiang‐Lin Jin Ka‐Luo Tang 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):696-697
In the title compound, tetracarbonyl(4,7‐diphenyl‐1,10‐phenanthroline‐N,N′)molybdenum(0), [Mo(C24H16N2)(CO)4], the Mo‐atom coordination is distorted octahedral, with two CO groups cis to each other, but each trans to an N atom of the 4,7‐diphenyl‐1,10‐phenanthroline (dpphen) ligand, and with the other two CO groups trans to each other and on the axis position. The complex has better solubility than [Mo(phen)(CO)4], where phen is 1,10‐phenanthroline. 相似文献
12.
T. S. Basu Baul S. Dhar E. R. T. Tiekink 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1280-1281
The title compound, C14H12N2O4, shows an E conformation about the diazenyl N atoms. The crystal structure features layers of molecules with the primary connection between the layers afforded by carboxylic acid dimer motifs; no evidence for extensive π–π stacking between the layers was found. 相似文献
13.
Michael Lewis Charles L. Barnes Rainer Glaser 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):393-396
The crystal structure of the title mixed azine, C17H17ClN2O, contains four independent molecules, A–D, and molecule B is disordered. All four molecules have an N—N gauche conformation, with C—N—N—C torsion angles of 136.5 (4), 137.0 (4), ?134.7 (4) and ?134.7 (4)°, respectively. The phenyl rings are also somewhat twisted with respect to the plane defined by Cipso and the imine bond. On average, the combined effect of these twists results in an angle of 64.7° between the best planes of the two phenyl rings. Arene–arene double T‐contacts are the dominant intermolecular interaction. The methoxy‐substituted phenyl ring of one azine molecule interacts to form a T‐contact with the methoxy‐substituted phenyl ring of an adjacent molecule and, similarly, two chloro‐substituted phenyl rings of neighboring molecules interact to form another T‐contact. The only exception is for molecule B, for which the disorder leads to the formation of T‐contacts between methoxy‐ and chloro‐substituted phenyl rings. The prevailing structural motif of T‐contact formation between like‐substituted arene rings results in a highly dipole‐parallel‐aligned crystal structure. 相似文献
14.
Muharrem Diner Namk
zdemir brahim Ylmaz Alaaddin ukuroval Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o674-o676
In the title compound, C17H20N2O3, the cyclobutane ring is puckered, with a dihedral angle of 19.11 (15)°. The 1‐phenyl and 3‐[1‐hydroxyimino‐2‐(succinimido)ethyl] groups are in cis positions. The molecules are linked by O—H⋯O and C—H⋯π(benzene) interactions, forming a two‐dimensional network. 相似文献
15.
16.
Fiona Brady John F. Gallagher Carol Murphy 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):365-368
The title compounds, C12H13NO4, are derived from l ‐threonine and dl ‐threonine, respectively. Hydrogen bonding in the chiral derivative, (2S/3R)‐3‐hydroxy‐2‐(1‐oxoisoindolin‐2‐yl)butanoic acid, consists of O—Hacid?Oalkyl—H?O=Cindole chains [O?O 2.659 (3) and 2.718 (3) Å], Csp3—H?O and three C—H?πarene interactions. In the (2R,3S/2S,3R) racemate, conventional carboxylic acid hydrogen bonding as cyclical (O—H?O=C)2 [graph set R22(8)] is present, with Oalkyl—H?O=Cindole, Csp3—H?O and C—H?πarene interactions. The COOH group geometry differs between the two forms, with C—O, C=O, C—C—O and C—C=O bond lengths and angles of 1.322 (3) and 1.193 (3) Å, and 109.7 (2) and 125.4 (3)°, respectively, in the chiral structure, and 1.2961 (17) and 1.2210 (18) Å, and 113.29 (12) and 122.63 (13)°, respectively, in the racemate structure. The O—C=O angles of 124.9 (3) and 124.05 (14)° are similar. The differences arise from the contrasting COOH hydrogen‐bonding environments in the two structures. 相似文献
17.
Nack‐Do Sung Ki‐Seob Yun Jin‐Gyu Kim Il‐Hwan Suh 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e370-e371
The title compound, μ‐aqua‐1:2κ2O‐pentaaqua‐1κ2O,2κ3O‐μ‐3,6‐bis(6‐methyl‐2‐pyridyl)pyridazine‐1κ2N1,N6:2κ2N2,N3‐chloro‐1κCl‐dinickel(II) trichloride trihydrate, [Ni2Cl(C16H14N4)(H2O)6]Cl3·3H2O, consists of two NiII atoms, a 3,6‐bis(6‐methyl‐2‐pyridyl)pyridazine molecule, four Cl atoms and nine water molecules. The two Ni atoms are octahedrally coordinated by N and Cl atoms, and by water molecules, and the three six‐membered rings, a pyridazine and two picolines, are planar to within 0.181 (3) Å. The crystal structure is stabilized by an intra‐ and intermolecular hydrogen‐bonding scheme involving water–water and water–chlorine interactions. 相似文献
18.
Jrg Saßmannshausen Jrg Rust Richard Goddard 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e236-e237
The title compound, [Zr(C7H7)3(C15H17)], (I), crystallizes from light petroleum with two independent molecules in the asymmetric unit. Whereas in the parent molecule, Zr(η5‐C5H5)(CH2Ph)3, all three Zr—CH2Ph angles are equal, in (I), they differ significantly. In spite of their different environments, both independent molecules in (I) exhibit a small, an expected, and a large Zr—CH2Ph angle. The angles are similar to those of the closely related tribenzyl[η5‐(benzyldimethylsilyl)cyclopentadienyl]zirconium complex. The smallest Zr—CH2Ph angle and the consequently relatively short Zr?Cipso distance are indicative of η2‐bonding of the benzyl group. 相似文献
19.
Andrew Hempel Norman Camerman Zbigniew Dauter Donald Mastropaolo Arthur Camerman 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):455-456
The crystal structure of the title compound, C19H26NO+·Cl? (common name: N,N‐diethyl‐2‐[(4‐phenylmethyl)phenoxy]‐ethanamine hydrochloride), contains one molecule in the asymmetric unit. The planes through the two phenyl rings are roughly perpendicular. Protonation occurs at the N atom, to which the Cl? ion is linked via an N—H?Cl hydrogen bond. The molecule adopts an eclipsed rather than extended conformation. 相似文献