共查询到20条相似文献,搜索用时 15 毫秒
1.
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
2.
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
3.
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
4.
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
5.
Manfredo Hrner Almir Luis Brancher Angela Silva Jairo Bordinhao Ccilia M. Mssmer 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o303-o304
The crystal structure of the title compound, C14H12N4O3, shows that the stereochemistry about the N=N double bond of the N=N—N(H) moiety is trans. The whole molecule is almost planar (r.m.s. deviation = 0.0654 Å), the interplanar angle between the phenyl rings being 0.7 (1)° and the largest interplanar angle being that between the phenyl ring and the nitro group of the 4‐nitrophenyl substituent [11.5 (2)°]. Intermolecular N—H⋯O interactions between molecules related by translation give rise to chains along the [110] and [10] directions, and these chains are held together by N⋯O π–π interactions. An unequal distribution of the double‐bond character among the N atoms suggests a delocalization of π electrons over the diazoamine group and the adjacent aryl substituents. 相似文献
6.
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
7.
Serkan Soylu Murat Ta Hümeyra Bat Nezihe alkan Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o263-o264
The structure of the title compound, C15H12N2O4, consists of a polymeric arrangement, around inversion centres, of molecules linked through O—H⋯N and O—H⋯O hydrogen bonds; there are also intramolecular hydrogen bonds. All these hydrogen‐bond interactions result in the formation of infinite chains parallel to the [010] direction. The oxime group has an E conformation. 相似文献
8.
Pierre Thury Martine Nierlich Bernardo Masci 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o14-o15
The title compound, 2,2′‐(3‐oxapentane‐1,5‐diyldioxy)diphenol, crystallizes as a methanol solvate, C16H18O5·CH4O. The methanol molecule, roughly perpendicular to the mean plane of the polyether molecule, is hydrogen bonded to the two polyether OH groups and to the central ether O atom. Possible C—H?π intermolecular interactions are present. 相似文献
9.
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
10.
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
11.
Yao‐Cheng Shi Su‐Hua Zhang Hong‐Jian Cheng Wei‐Ping Sun 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m407-m410
The title compounds, both [Fe(C5H5)(C15H14NO2)], crystallize with Z′ = 2 in the centrosymmetric space group P. In each compound, there is an intramolecular N—H⋯O=C hydrogen bond, and pairs of intermolecular O—H⋯O=C hydrogen bonds link the molecules into chains, parallel to [10] in the 3‐hydroxy compound and parallel to [10] in the 4‐hydroxy compound. 相似文献
12.
Christophe M. L. Vande Velde Herman J. Geise Frank Blockhuys 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):o21-o24
In the title compound, C30H34O8, molecular symmetry is coincident with crystallographic inversion symmetry. A three‐dimensional network is generated containing both C—H·π and C—H·n(O) interactions. A comparison of the geometry of this molecule and the structure of a number of 2,4,6‐trimethoxy‐substituted analogues is provided. 相似文献
13.
Richard A. Varga Cristian Silvestru 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m48-m50
The molecular structure of the title compound, [SnBr2(C9H12N)(C9H13N)][SnBr4(C9H12N)], consists of a dibromobis[2‐(dimethylaminomethyl)phenyl][2‐dimethylammoniomethyl)phenyl]tin(IV) cation and a tetrabromo[2‐(dimethylaminomethyl)phenyl]tin(IV) anion. As a result of strong intramolecular N→Sn interactions, distorted trigonal–bipyramidal and octahedral coordination geometries are established for the metal centres of the diorganotin(IV) and monoorganotin(IV) fragments, respectively. The cation and anion are linked together by two Br⋯H contacts, while three additional similar contacts result in a dimeric fragment which repeats in a two‐dimensional supramolecular arrangement. 相似文献
14.
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
15.
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
16.
Jos S. Casas Eduardo E. Castellano M. S. García Tasende Agustín Snchez Jos Sordo Ezequiel M. Vzquez‐Lpez Julio Zukerman‐Schpector 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):182-183
The crystal structure of the title compound, [Hg(C11H8N)(C12H22PS2)], consists of molecules in which the Hg atom is coordinated strongly to the C atom in position 2 of the phenyl group and to one of the dithiophosphinate S atoms, and at longer distances to the pyridine N atom and the other S atom. The C—Hg—S fragment involving the S atom more strongly bound to Hg is almost linear [C—Hg—S = 178.9 (3)°]. 相似文献
17.
Robert T. Stibrany Patrick Brant 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):644-645
In the title compound, [(CH3)2(C7H7)NH][(C6F5)3B(OH)] or C9H14N+·C18HBF15O?, the distorted tetrahedral borate anions are strongly hydrogen bonded to the substituted ammonium cations. The N?O separation in the N—H?O hydrogen bond is 2.728 (3) Å. 相似文献
18.
Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong‐Kun Fun Zhen‐Feng Chen Jing Zhang Ren‐Geng Xiong Xiao‐Zeng You 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e341-e342
In the title compound, C18H16N2O4, the piperidine ring adopts a chair conformation, lying on an inversion centre. The 4‐hydroxybenzyl groups are in quasi‐axial positions. A two‐dimensional network is formed through N—H?O and O—H?O intermolecular hydrogen bonds and C—H?O interactions. 相似文献
19.
Marian Koman Peter Szolcsnyi Tibor Gracza 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e138-e138
The absolute configuration at the new stereogenic centre during the key step of the total synthesis was established byX‐ray analysis of the title compound, C7H15NO4+·Cl?. 相似文献
20.
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