共查询到20条相似文献,搜索用时 15 毫秒
1.
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
2.
Abdurrahman engül Nevzat Karaday Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o507-o508
Molecules of the title compound, C12H12N6, contain both a diimine linkage and an N—N bond, and assume a planar structure. The compound lies about an inversion centre and there are three intramolecular C—H⋯N hydrogen bonds. 相似文献
3.
Vladimir N. Nesterov Tatiana V. Timofeeva Sergey S. Sarkisov Alexander Leyderman Charles Y.‐C. Lee Mikhail Yu. Antipin 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o605-o608
The structures of 3,5‐bis[4‐(diethylamino)benzylidene]‐1‐methyl‐4‐piperidone, C28H37N3O, (I), and 3,5‐bis[4‐(diethylamino)cinnamylidene]‐1‐methyl‐4‐piperidone, C32H41N3O, (II), have been characterized. Because of conjugation between donor and acceptor parts, the central heterocycles (including the carbonyl group) in (I) and (II) are flattened and exhibit a `sofa' conformation, with a deviation of the N atom from the planar fragment. The dihedral angles between the planar part of the heterocycle and the two almost flat fragments that include a phenyl ring and bridging atoms are 23.2 (1) and 11.2 (1)° in (I), and 11.8 (1) and 8.7 (2)° in (II). One‐ and two‐photon absorption of light and the fluorescence of (I) and (II) have also been characterized. 相似文献
4.
L. Vijayalakshmi V. Parthasarathi P. Manishanker 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e403-e404
The crystal structure of the title compound, C13H10ClNO, confirms that it exists as a nitrone. The geometry about C=N is Z. The relevant torsion angles indicate trans and cis conformations around the nitrone bond. 相似文献
5.
Tadeusz Lis Youssif Ebead Artur Sikorski Karol Krzymiski Jerzy Baejowski 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o85-o87
The title compounds, C15H13ClN2·H2O, (I), and C19H13NO, (II), form monoclinic crystals. Arranged in a `head‐to‐tail' manner, the molecules of the amine form (I) lie along the b axis in layers that are linked by a network of hydrogen bonds involving the endocyclic N atom, the H atom at the exocyclic N atom and all the atoms of the solvent water molecule. Molecules of (II), with the phenoxy group nearly perpendicular to the acridine moiety, are arranged in pairs related by a center of symmetry and stabilized via two C—H⋯N contacts; the latter are linked via a network of further C—H⋯N contacts and non‐specific dispersive interactions. 相似文献
6.
Martin Nieger Patrick Liptau Karl Heinz Dtz 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e390-e391
In the title compound, [Cr(C13H11N)(CO)5], the imino ligand displays weak π‐acceptor capabilities and, in contrast to Fischer‐type carbene complexes, is not positioned on the bisecting line of the angle between two CO ligands. 相似文献
7.
T. V. Sundar V. Parthasarathi K. Sarkunam M. Nallu B. Walfort H. Lang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o464-o466
The title compounds, C15H16ClN2O+·Br−·1.5H2O and C15H16BrN2O+·Br−·1.5H2O, are isomorphous. The benzene ring is oriented nearly normal to the pyridine ring in both compounds. The molecular packing is mainly influenced by intermolecular O—H⋯O and O—H⋯Br interactions, as well as weak intramolecular C—H⋯O interactions. The H2OBr− units form an extended water–bromide chain, with a bridging water molecule on a twofold axis. 相似文献
8.
Yang Peng Yi‐Zhi Li Song‐Song Bao Li‐Min Zheng 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m302-m304
In the title compound, [Co(C2H8N2)3]2[Ru2(C2H4O7P2)2Cl2]Cl·3H2O, the building unit contains two crystallographically independent dinuclear [Ru2(hedp)2Cl2]5− anions, where hedp [viz. (1‐hydroxyethylidene)diphosphonate] serves as a bis‐chelating bridging ligand, two types of [Co(en)3]3+ cations, one uncoordinated Cl− anion and five water molecules of crystallization. The [Ru2(hedp)2Cl2]5− anions are connected to one another, forming one‐dimensional chains along the a axis. The [Co(en)3]3+ cations are located between these chains and lie across inversion centres. An extensive series of hydrogen bonds lead to the formation of a three‐dimensional supramolecular network structure, with channels generated along the [100] direction. The uncoordinated water molecules and Cl− anions reside in these channels. 相似文献
9.
Tuncay TuncÛ Musa Sar Rahmi Yagbasan Habibe Tezcan Ertan SÛahin 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o192-o193
Molecules of the title compound (alternative name p‐methoxybenzaldehyde 2‐pyridylhydrazone), C13H13N3O, adopt an E configuration about the azomethine C=N double bond. Molecules are almost planar, the dihedral angle between the pyridine and methoxyphenyl rings being only 6.19 (12)°. Pairwise N—H⃛N hydrogen bonds [R(8) in graph‐set notation] link centrosymmetrically related molecules into discrete pairs. 相似文献
10.
Carolina Gastone Jordi Puiggalí Merc Font‐Bardia Lourdes Urpí 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o498-o500
Crystals of the title compound, C8H14ClNO3, belong to the space group Cc and are characterized by an asymmetric unit containing two molecules, both with a twisted conformation. The molecular packing is stabilized by N—H⋯O=C hydrogen bonds between the amide groups of molecules with the same conformation. In addition, hydrogen‐bonded cyclic carboxylic acid dimers are established between molecules with a different conformation. The ClCH2—CONH bond has a cis conformation in order to favour an intramolecular Cl⋯HN electrostatic interaction. Weak intra‐ and intermolecular CH2⋯O=C interactions are also present. 相似文献
11.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o641-o643
Two chemical isomers of 3‐nitrobenzotrifluoride, namely 1‐(4‐chlorophenylsulfanyl)‐2‐nitro‐4‐(trifluoromethyl)benzene, C13H7ClF3NO2S, (I), and 1‐(4‐chlorophenylsulfanyl)‐4‐nitro‐2‐(trifluoromethyl)benzene, C13H7ClF3NO2S, (II), have been prepared and their crystal structures determined with the specific purpose of forming a cocrystal of the two. The two compounds display a similar conformation, with dihedral angles between the benzene rings of 83.1 (1) and 76.2 (1)°, respectively, but (I) packs in P while (II) packs in P21/c, with C—H⋯O interactions. No cocrystal could be formed, and it is suggested that the C—H⋯O associations in (II) prevent intermolecular mixing and promote phase separation. 相似文献
12.
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
13.
Dianne D. Ellis Anthony L. Spek 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):433-434
Analysis of C12H11NO3 revealed a coplanar N‐substituted phenyl group on a pyrrolidine ring with two keto moieties and a hydroxyethylidene functionality. The hydroxy group forms part of a hydrogen‐bonding network characterized by a short intramolecular H?O distance of 1.81 (3) Å, and a longer intermolecular interaction with an H?O distance of 2.38 (3) Å. Both keto groups form additional intra‐ and intermolecular C—H?O contacts with H?O distances ranging from 2.26 to 2.41 Å. 相似文献
14.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):e534-e534
The structure of the title compound, C12H13ClN4, (I), comprises a racemic mixture of chiral molecules associated by N—H?N hydrogen‐bonding interactions. The dihedral angle between the two rings is 77.90 (6)°. 相似文献
15.
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
16.
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
17.
M. Scott Goodman Margaret A. Goodman Andrey Y. Kovalevsky Alexander Y. Nazarenko Donald Pope 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m30-m32
The title copper(II) complex, [Cu(C22H18N6)2](ClO4)2·2C2H3N, comprises two neutral substituted tris(pyrazol‐1‐yl)methane ligands bonded to a central CuII ion, which is positioned on a crystallographic inversion center. Six Cu—N bonds are arranged in a distorted octahedral fashion. The unsubstituted pyrazole rings on each ligand are oriented trans with respect to each other, interdigitated with the two 3‐phenylpyrazole rings of the other ligand. 相似文献
18.
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
19.
Yuqing Hou Paul D. Robinson Hisham G. Lutfi Cal Y. Meyers 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):428-430
Treatment of 9‐fluorenyllithium with acetyl chloride produces 9‐acetylfluorene, (I), and several by‐products, among which is `diacetylfluorene', now characterized definitively as 9‐(1‐acetoxyethylidene)fluorene [IUPAC name: (1‐fluoren‐9‐ylidene)ethyl acetate], (II), C17H14O2, derived from acetylation of initially formed (I). Various parameters disclose substantial structural distortion within (II) emanating from A(1,3) strain associated with the 9‐(acetoxyethylidenyl)fluorene system. 相似文献
20.
Md. Abdul Jabbar Isao Aritome Hisashi Shimakoshi Yoshio Hisaeda 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o663-o665
The title compound, C14H10Cl2, crystallizes as colourless prisms with two symmetry‐independent molecules in the unit cell. Numerous intermolecular C—H⋯π interactions dominate in the crystal structure, where C—H⋯Cl and long Cl⋯Cl contacts are also observed. 相似文献