共查询到20条相似文献,搜索用时 15 毫秒
1.
Manfredo Hrner Leandro Bresolin Jairo Bordinhao Edmund Hartmann Joachim Strhle 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o426-o427
The structure of the title compound, C12H9N5O4, reveals an almost planar molecule (r.m.s. deviation = 0.061 Å), in which the interplanar angle between the phenyl rings is 5.7 (1)° and the largest interplanar angle is that between the phenyl ring and the nitro group of one of the 4‐nitrophenyl substituents [8.8 (3)°]. The observed molecular conformation suggests a delocalization of π‐electrons extended over the diazoamine group and the terminal aryl substituents. Intermolecular N—H⃛O interactions between the twofold screw‐related molecules give rise to helical chains along the [010] direction. Intermolecular C—H⃛O interactions then generate sheets of molecules in the (10) plane, and these sheets are held together by N⃛C and O⃛O π–π interactions. 相似文献
2.
Jun‐Gill Kang Jung‐Pyo Hong Il‐Hwan Suh 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):231-232
In the crystal structure of the title compound, 4‐cyano‐N‐(4‐methoxybenzylidene)phenylamine N‐oxide, C15H12N2O2, the 4‐methoxyphenyl is approximately coplanar with the nitrone moiety but significantly rotated with respect to the 4‐cyanophenyl moiety. The extent of this rotation is significantly different for the two crystallographically independent molecules of the asymmetric unit [dihedral angles of 19.4 (1) and 26.5 (1)°]. The geometry about the C=N bond is Z. The two molecules are related to one another by a pseudo inversion centre. 相似文献
3.
J. Wilson Quail John A. Weil Malvinder P. Singh 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):235-236
The title molecule (DMPH‐H), C8H9N5O6, was investigated to provide comparison with 2,2‐diphenyl‐1‐picrylhydrazine, which unlike DMPH‐H is readily oxidizable to form a well known stable free radical (DPPH). The structure shows essential differences in the configuration of the hydrazine‐N atoms, the ortho‐nitro group orientations and the crystal packing. The bond angles of the dimethylamino N atom [107.90 (13), 108.96 (12) and 112.21 (13)°] are consistent with a tetrahedral N atom and sp3 hybridization. 相似文献
4.
John Nicolson Low Christopher Glidewell James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):689-691
In the title compound, C13H11NO4S2, the nitro group is rotated by 44.1 (1)° out of the plane of the adjacent aryl ring and the toluenethiosulfonate group is almost orthogonal to the plane of the nitrated aryl ring. There are three types of C—H?O hydrogen bond in the structure [C?O range 3.324 (3)–3.503 (3) Å; C—H?O range 160–173°] and these link the molecules into a three‐dimensional framework. 相似文献
5.
Lei Wang Yong Zhang Cheng‐Rong Lu De‐Chun Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o696-o698
In the molecule of the title compound, C16H13BrO, the two benzene rings are rotated in opposite directions with respect to the central C—C=C—C part of the molecule. The phenone O atom deviates from the least‐squares plane of the molecule by 0.300 (3) Å. In the crystal structure, molecules are paired through C—H⋯π interactions. The molecular pairs along [001] are hydrogen bonded through three translation‐related co‐operative hydrogen bonds in the `bay area', forming molecular chains, which are further hydrogen bonded through C—H⋯Br weak interactions, forming (010) molecular layers. In the third direction, there are only weak van der Waals interactions. The co‐operative hydrogen bonds in the `bay area' are discussed briefly. 相似文献
6.
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
7.
Yoshinobu Inouye Yoshiko Sakaino 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):884-887
Red non‐solvate crystals of the title compound from ethanol, C23H19N3O4, orange solvate crystals from tert‐butanol, C23H19N3O4·C4H10O, yellow solvate crystals from dioxane–water, C23H19N3O4·0.5C4H8O2, and intense yellow solvate crystals from benzene–N,N′‐dimethylformamide, C23H19N3O4·C6H6, differ from each other in their molecular conformation and hydrogen‐bonding scheme. The bathochromic shifts of the crystal color are explained by the molecular planarity and charge‐transfer effect among the imidazole molecules. 相似文献
8.
Qing Wang Xiang‐Dong Pi Cheng‐Yong Su 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o73-o74
In the title Schiff base compound, C25H20N4, the two rigid parts adopt an angular conformation, thus making the compound a potential non‐linear ditopic ligand for the construction of interesting coordination polymers. 相似文献
9.
Leroy Cronin Dave A. Adams David J. Nightingale James H. Clark 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):244-245
The structure of the title compound, C14H7ClN4O5, comprises two nearly coplanar phenyl rings connected via an amido moiety. 相似文献
10.
Nevzat Karaday ükriye akmak Mustafa Odabaolu Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o303-o305
The title 4,4′‐disubstituted diphenyl‐1,3‐triazines, C14H15N3, (I), C12H9ClFN3, (II), and C13H12FN3, (III), each contain a triazene group (–N=N—NH–) having an extended conformation. The dihedral angles between the two benzene rings in (I), (II) and (III) are 4.3, 3.4 and 6.5°, respectively. The molecules are almost entirely planar, with maximum deviations from the mean planes of 0.1087 (2), −0.1072 (7) and 0.1401 (3) Å, respectively. In each compound, the molecules are linked by N—H⋯N hydrogen bonds to form chains and pack similarly in the crystal structures. 相似文献
11.
Viktor Kettmann Jan Lokaj Jozef Koíek Josef Pikryl Vladimír Mach
ek 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o143-o145
The molecule of the title compound, C17H17N5O2S, consists of three π systems, viz. two aromatic rings and the triazene moiety, which are mutually deconjugated although coplanar. The n‐butyl chain is roughly perpendicular to the molecular plane, with the terminal methylene and methyl groups disordered between two equally populated positions. The molecules in the crystal associate in an antiparallel fashion, forming dimers across the centre of symmetry, the principal intradimer interaction being stacking of the π‐electron portions of the molecules. 相似文献
12.
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
13.
Manfredo Hrner Julieta Saldanha de Oliveira Jairo Bordinhao Johannes Beck 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m586-m587
In the centrosymmetric title complex, [Ni(C7H7N4O3)2(C5H5N)2], the coordination geometry about the Ni2+ ion is octahedral, with two deprotonated 1‐methyl‐3‐(p‐nitrophenyl)triazenide 1‐oxide ions, viz. [O2NC6H4NNN(O)CH3]?, acting as bidentate ligands (four‐electron donors). Two neutral pyridine (py) molecules complete the coordination sphere in positions trans to each other. The triazenide 1‐oxide ligand is almost planar, the largest interplanar angle of 8.80 (12)° being between the phenyl ring of the p‐nitrophenyl group and the plane defined by the N3O moiety. The Ni—Ntriazenide, Ni—O and Ni—Npy distances are 2.0794 (16), 2.0427 (13) and 2.1652 (18) Å, respectively. 相似文献
14.
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
15.
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
16.
Alok K. Mukherjee Chitra Samanta Monika Mukherjee M. Helliwell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):952-954
In the title compound, [Zn(C8H10N3O2)2], the Zn atom displays a highly distorted octahedral coordination involving O and N atoms of two bidentate planar ligands approximately orthogonal to each other; the dihedral angle between the ligand planes is 84.95 (4)°. The ligand molecules show great asymmetry in their bonding to the Zn2+ ion, with Zn—O bond distances ranging between 2.056 (2) and 2.534 (2) Å. The planar phenyl ring and the trigonal–planar geometry about the triazene N atom bonded to the phenyl ring suggest a resonance interaction extending over adjacent atoms. 相似文献
17.
Stepan Boitsov Jon Songstad Karl W. Trnroos 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o145-o147
The crystal structure of the title compound, C9H6F3N, at 123 K contains molecules linked together via several C—H?F and C—H?N contacts, the strongest of which are 2.58 and 2.65 Å, respectively. Apparently, an F atom in the CF3 group is able to compete with a cyano N atom for aromatic H atoms but is less prone to interact with the more acidic methylene H atoms. The Ph–CH2CN torsion angle is ?6.4 (2)° and the planar phenyl ring exhibits a typical deformation of the endo angles at the ipso‐C atoms, due to the difference in the electron‐withdrawing power of the CF3 and CH2CN substituents. 相似文献
18.
A. Subbiah Pandi D. Velmurugan S. Shanmuga Sundara Raj Hoong‐Kun Fun M. C. Bansal 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o302-o304
The title compound, C19H20O6, crystallizes in the centrosymmetric space group P21/c with one molecule in the asymmetric unit. The molecule is approximately planar and the dihedral angle between the phenyl rings is 11.0 (1)°. The H atoms of the central propenone group are trans. There is an intramolecular O—H⃛O hydrogen bond and the molecules are crosslinked by four intermolecular C—H⃛O hydrogen bonds, producing a three‐dimensional network. 相似文献
19.
Jianxing Zhang Shou‐Feng Chen Kevin K. Klausmeyer Robert R. Kane 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o381-o382
In the crystal structure of the title compound, C18H20O5, all geometric parameters fall within experimental error of the expected values. Analysis of the molecular‐packing plots reveals an infinite one‐dimensional linear array running parallel to the c axis, formed by an O—H⃛O intermolecular hydrogen‐bonding interaction. The stilbene framework and most of the substituents are approximately coplanar. 相似文献
20.
Lakshminarasimhan Damodharan Vasantha Pattabhi Manoranjan Behera Sambasivarao Kotha 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o216-o218
The title compounds, C19H19I2NO3 and C19H19Br2NO3, are derivatives of α‐aminoisobutyric acid with halogen substituents at the para and meta positions, respectively. The ethoxycarbonyl and formamide side chains attached to the Cα atom of the molecule adopt extended and folded conformations, respectively. The crystal structures are stabilized by N—H⃛O, C—H⃛O, C—Br⃛O and C—I⃛O interactions. 相似文献