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.
Ana Tesouro Vallina Helen Stoeckli‐Evans 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):489-490
The title compound, C24H18N4O, is a bis‐bidentate Schiff base ligand exhibiting pseudo‐C2 symmetry. The molecule is twisted about the central ether linkage and exhibits an imine E configuration. In the crystal, the molecules are linked by weak intermolecular C—H?N hydrogen bonds. 相似文献
3.
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
4.
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
5.
Mari Pretorius D. Bradley G. Williams Andreas Roodt Alfred Muller 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):o384-o386
The title compounds, Ph2PCH2N(H)Ph or C25H22NP and Ph2PCH2N(CH3)Ph or C26H24NP, respectively, are isomorphous, with calculated theoretical Tolman angles of 174 and 182°. 相似文献
6.
Esther García G. Virgilio Mendoza G. Jos Agustín Guzmn‐B. Luis Angel Maldonado Graniel Simn Hernndez‐Ortega 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o336-o338
In the molecule of the title compound, C13H18O3, there is a syn relationship between the two vicinal methyl groups. The six‐membered ring adopts a chair conformation, with one equatorial and two axial groups, and the furyl group is almost parallel to the ketone group. Intermolecular hydrogen bonds [O—H?O=C 2.814 (3) Å] form chains along [100]. 相似文献
7.
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
8.
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
9.
Jin‐Xiang Chen Qing‐Feng Xu Yong Zhang Sharifuddin M. Zain Seik Weng Ng Jian‐Ping Lang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o572-o574
The title compound, C9H13NO3S2, exists as a zwitterion with crystallographic mirror symmetry. The central S atom of the S2O3 group adopts a slightly distorted tetrahedral coordination geometry. The S—S bond length is 2.1137 (7) Å, while the S—O bond lengths are in the range 1.4417 (12)–1.457 (2) Å. The zwitterions in the crystal adopt a head‐to‐tail arrangement, which leads to the formation of a three‐dimensional network through C—H⋯O hydrogen bonds. 相似文献
10.
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
11.
Banglin Chen Frank R. Fronczek Andrew W. Maverick 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):m147-m149
The β‐diketone 3‐(4‐cyanophenyl)pentane‐2,4‐dione crystallizes as the enol tautomer 4‐(2‐hydroxy‐4‐oxopent‐2‐en‐3‐yl)benzonitrile, C12H11NO2, (I), with an intramolecular O—H⋯O hydrogen bond [O⋯O = 2.456 (2) Å]. Reaction of (I) with copper acetate monohydrate in the presence of triethylamine leads to the formation of the copper(II) complexbis[3‐(4‐cyanophenyl)pentane‐2,4‐dionato‐κ2O,O]copper(II), [Cu(C12H10NO2)2], (II). In the structure of (II), the Cu atom is coordinated by four β‐diketonate O atoms in a slightly distorted square‐planar geometry, with Cu—O distances in the range 1.8946 (11)–1.9092 (11) Å. The nitrile moieties in (II) make it a candidate for reaction with other metal ions to produce supramolecular structures. 相似文献
12.
Ayta Gürhan Gke Hayati Türkmen Muhittin Aygün Bekir etinkaya Canan Kazak 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):m254-m255
The title complex, [PdCl2(C19H22N2)(C18H15P)], shows slightly distorted square‐planar coordination of the palladium(II) metal center. The Pd—C bond distance between the N‐heterocyclic ligand and the metal atom is 2.008 (3) Å. The dihedral angle between the two dimethylphenyl ring planes is 33.17 (13)°. 相似文献
13.
John Nicolson Low Justo Cobo Manuel Nogueras Adolfo Snchez Braulio Insuasty Harlen Torres 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o39-o41
2,2‐Dimethyl‐5‐[3‐(4‐methylphenyl)‐2‐propenylidene]‐1,3‐dioxane‐4,6‐dione, C16H16O4, crystallizes in the triclinic space group , with two molecules in the asymmetric unit. These molecules and a centrosymmetrically related pair, linked together by weak C—H?O hydrogen bonds, form a tetramer. 5‐[3‐(4‐Chlorophenyl)‐2‐propenylidene]‐2,2‐dimethyl‐1,3‐dioxane‐4,6‐dione, C15H13ClO4, also crystallizes in the triclinic space group , with one molecule in the asymmetric unit. Centrosymmetrically related molecules are linked together by weak C—H?O hydrogen bonds to form dimers which are further linked by yet another pair of centrosymmetrically related C—H?O hydrogen bonds to form a tube which runs parallel to the a axis. 相似文献
14.
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
15.
Viktor Kettmann Jan Lokaj Viktor Milata Milan Marko Magdalna tvrteck 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o252-o254
In the title compound, C13H13NO2, there is polarization of π‐electron density from the amine N atom to the acceptor carbonyl groups: as a result, the molecule exists predominantly in an azomethino‐1,3‐diketone tautomeric form. There is crystallographic evidence that the phenyl ring, although roughly coplanar with the rest of the molecule, is deconjugated with the adjacent π system of the molecule. The cyclohexane ring adopts an unsymmetrical half‐chair conformation and converts between two inversion‐related conformers. The molecule is stabilized by an intramolecular hydrogen bond, while the intermolecular packing is dominated by a number of short C—H⋯O contacts. 相似文献
16.
Daniel Vega Daniel Fernndez Gustavo Echeverría 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1009-1010
The crystal structure of racemic Venlafaxine hydrochloride, C17H28NO2+·Cl?, consists of two types of parallel chains formed by translated Venlafaxine+ cations, hydrogen bonded by Cl? anions, and characterized by the opposite chirality of their constituent molecules. These chains organize in two different types of broad layers of opposite handedness, related by a glide plane. 相似文献
17.
Lidia Armelao Giovanni Depaoli Alessandro Dolmella 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e268-e268
In the crystal of the title compound, C10H12O2, there are two symmetry‐independent molecules, which are essentially superimposable. Each molecule exhibits an intramolecular O—H?O hydrogen bond, with O?O separations of 2.483 (4) and 2.468 (4) Å. 相似文献
18.
Caroline Charlier Bernadette Norberg Laurence Goossens Jean‐Pierre Hnichart Franois Durant 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o648-o652
Three related compounds containing a pyrazole moiety with vicinal phenyl rings featuring a methylsulfonyl substituent are described, namely 3‐methyl‐1‐[4‐(methylsulfonyl)phenyl]‐5‐phenyl‐1H‐pyrazole, C17H16N2O2S, ethyl 1‐[4‐(methylsulfonyl)phenyl]‐5‐phenyl‐1H‐pyrazole‐3‐carboxylate, C19H18N2O4S, and 1‐[4‐(methylsulfonyl)phenyl]‐3‐[3‐(morpholino)phenoxymethyl]‐5‐phenyl‐1H‐pyrazole, C27H27N3O4S. The design of these compounds was based on celecoxib, a selective cyclooxygenase‐2 (COX‐2) inhibitor, in order to study the influence of various substituents on COX‐2 and 5‐lipoxygenase (5‐LOX) inhibition. 相似文献
19.
Michael J. Goldcamp Jeanette A. Krause Bauer Michael J. Baldwin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e602-e603
Tris[2‐(benzoylamino)ethyl]amine [alternatively, N,N′,N′′‐(nitrilotriethyl)tribenzamide], C27H30N4O3, adopts a folded structure, forming a symmetrical cavity with an average depth of 7.3 Å and width ranging from 4.1–4.4 Å. The folded structure is a result of one intramolecular N—H?O hydrogen bond. A linear chain motif along the c axis best describes the extended intermolecular N—H?O hydrogen bonding. 相似文献
20.
Ayhan Elmali Yaln Elerman Ingrid Svoboda 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):485-486
The title compound, N‐(5‐chloro‐2‐oxidobenzylidene)‐2‐hydroxy‐5‐methylanilinium, C14H12ClNO2, is a tridentate Schiff base with almost planar molecules. Each molecule contains a strong intramolecular N—H?O hydrogen bond [2.576 (2) Å]. There is also an intermolecular O—H?O hydrogen bond [2.695 (2) Å] linking neighbouring molecules into infinite chains along the [101] direction. 相似文献