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1.
Yao‐Cheng Shi Bei‐Bei Zhu Xiao‐Bi Jing 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m559-m562
The molecules of N,N′‐bis(2‐pyridylmethyl)ferrocene‐1,1′‐diyldicarboxamide, [Fe(C12H11N2O)2], contain intramolecular N—H⋯N hydrogen bonds and are linked into sheets by three independent C—H⋯O hydrogen bonds. The molecules of the isomeric compound N,N′‐bis(3‐pyridylmethyl)ferrocene‐1,1′‐diyldicarboxamide lie across inversion centres, and the molecules are linked into sheets by a combination of N—H⋯N hydrogen bonds and π–π stacking interactions between pyridyl groups. 相似文献
2.
Fumio Imashiro 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o410-o411
Molecules of the title compound, C16H22O4S, have twofold crystallographic symmetry and are stabilized by strong intramolecular O—H⋯O hydrogen bonds and very weak intermolecular C—H⋯O hydrogen bonds, forming layers normal to the c axis. The molecular structure is compared with those of the Se‐ and CH2‐bridged analogues. 相似文献
3.
Petar Todorov Emilia Naydenova Rosica Petrova Boris Shivachev Kolio Troev 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o661-o662
The title compound, C6H12NO5P, was synthesized as an intermediate phase in a search for new N‐(phosphonomethyl)glycine derivatives. The molecules are held together by O—H⋯O hydrogen bonds, forming chains along the b axis in the crystal structure. The observed molecular structure is compared with that calculated by the density functional theory method. 相似文献
4.
Günseli Turgut Metin Zora Mustafa Odabaolu Cem Cüneyt Ersanl Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o321-o323
The crystal structure of the title compound, C2H10N2O2+·2Cl−, is built up from one 2‐hydroxyethylhydrazinium(2+) cation and two Cl− anions. The molecular structure is stabilized by O—H⋯Cl and N—H⋯Cl hydrogen bonds. The crystal structure is stabilized by one N—H⋯O and three N—H⋯Cl interactions, and the three‐dimensional network of hydrogen bonds stabilizes the crystal packing. All five hydrazinium H atoms are involved in hydrogen bonds to Cl− anions. The Cl⋯H contact distances range from 2.122 (15) to 2.809 (14) Å. 相似文献
5.
Hamid Reza Nasiri M. Gregor Madej C. Roy D. Lancaster Harald Schwalbe Michael Bolte 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):o671-o673
The title compound, C14H12O4, forms crystals which appear monoclinic but are actually twinned triclinic. The asymmetric unit consists of two similar molecules, which differ only in the conformation of the 3‐oxobutyl side chain. The molecular conformation is characterized by an intramolecular O—H⋯O hydrogen bond between the hydroxy group and the adjacent carbonyl O atom. The crystal structure is stabilized by O—H⋯O hydrogen bonds connecting the molecules into zigzag chains running along the b axis. 相似文献
6.
Jin‐Yan Zhao Xiang‐Bo Wang Guang‐You Zhang Wan‐Hui Wang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o534-o536
In the title compound, C25H30NO+·Cl−, the molecules are linked by a combination of intermolecular N—H⋯Cl and O—H⋯Cl hydrogen bonds and intramolecular N—H⋯O hydrogen bonds. The absolute configuration of the new stereogenic centre (the C atom adjacent to the N atom on the phenol side) is determined to have an R configuration. 相似文献
7.
Nada Kouti Hulita Aleksandar Danilovski Darko Fili Marina Marinkovi Ernest Metrovi Miljenko Dumi 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o648-o651
The structures of the three title isomers, namely 4‐(2‐methylanilino)pyridine‐3‐sulfonamide, (I), 4‐(3‐methylanilino)pyridine‐3‐sulfonamide, (II), and 4‐(4‐methylanilino)pyridine‐3‐sulfonamide, (III), all C12H13N3O2S, differ in their hydrogen‐bonding arrangements. In all three molecules, the conformation of the 4‐aminopyridine‐3‐sulfonamide moiety is conserved by an intramolecular N—H⋯O hydrogen bond and a C—H⋯O interaction. In the supramolecular structures of all three isomers, similar C(6) chains are formed via intermolecular N—H⋯N hydrogen bonds. N—H⋯O hydrogen bonds lead to C(4) chains in (I), and to R22(8) centrosymmetric dimers in (II) and (III). In each isomer, the overall effect of all hydrogen bonds is to form layer structures. 相似文献
8.
Lin‐Hai Jing Da‐Bin Qin Shao‐Jin Gu Huan‐Xia Zhang Gang Lei 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):o561-o562
The title compound, C26H22N2O4, crystallizes in an anti‐C=O orientation, with the two N‐substituted benzene rings in different conformations relative to the naphthalene ring. These conformations allow two strong N—H⋯O hydrogen bonds and one C—H⋯π interaction to generate molecular chains in the cell. 相似文献
9.
John N. Low Justo Cobo Silvia Cruz Jairo Quiroga Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o191-o193
Molecules of the title compound, C15H21N3O3S, have a markedly polarized electronic structure; the carbocyclic ring adopts an envelope conformation and the overall molecular conformation appears to be controlled by two intramolecular hydrogen bonds, one each of the O—H⋯O and N—H⋯O types. The molecules are linked into C(6) chains by an intermolecular N—H⋯O hydrogen bond, and pairs of these hydrogen‐bonded chains are linked by a π–π stacking interaction. 相似文献
10.
Si‐Jia Xue Qing‐Dong Wang Jing‐Zhi Li 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o666-o668
In the title compound, C15H15N5O3S, two parallel intermolecular N—H⋯S hydrogen bonds, forming an eight‐membered ring, link two molecules into a dimer unit; these dimer units linked into a chain of edge‐fused rings by weak C—H⋯O hydrogen bonds. 相似文献
11.
Gururaj M. Neelgund S. A. Shivashankar T. Narasimhamurthy R. S. Rathore 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m74-m76
The title compound, [Er(C5H7O2)3(C12H8N2)], is a mixed‐ligand metal–organic precursor for chemical vapour deposition, with the Er atom being eight‐coordinate. The coordination polyhedron, described as a distorted square antiprism, is formed by three bidentate (chelating) acetylacetonate residues and a phenanthroline ligand in the apical positions. Molecular assembly via C—H⋯O hydrogen bonds generates a sheet structure in the ac plane. Weak co‐operative C—H⋯π interactions form molecular dimers and contribute to the stability of the intersheet packing. The supramolecular assembly contains voids which form hydrophobic porous channels, surrounded by a cluster of dimers. 相似文献
12.
Vratislav Langer Eva Scholtzov Dalma Gyepesov Jozef Lusto Juraj Kronek 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):o187-o189
In the crystal structure of the title compound, C9H9NO3, there are strong intramolecular O—H⋯N and intermolecular O—H⋯O hydrogen bonds which, together with weak intermolecular C—H⋯O hydrogen bonds, lead to the formation of infinite chains of molecules. The calculated intermolecular hydrogen‐bond energies are −11.3 and −2.7 kJ mol−1, respectively, showing the dominant role of the O—H⋯O hydrogen bonding. A natural bond orbital analysis revealed the electron contribution of the lone pairs of the oxazoline N and O atoms, and of the two hydroxy O atoms, to the order of the relevant bonds. 相似文献
13.
Ri‐Cheng Xuan Min Xu Dong‐Ping Cheng 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m587-m589
In the title compound, [CuCl2(C9H12N2O)], the CuII atom is coordinated by two Cl− anions and two N atoms of one O‐ethyl 3‐methylpyridine‐2‐carboximidic acid molecule in a slightly distorted square‐planar geometry, with Cu—N distances of 2.0483 (17) and 1.9404 (18) Å, and Cu—Cl distances of 2.2805 (10) and 2.2275 (14) Å. In addition, each CuII atom is connected by one Cl− anion and the CuII atom from a neighbouring molecule, with Cu⋯Cl and Cu⋯Cu distances of 2.9098 (13) and 3.4022 (12) Å, respectively, and, therefore, a centrosymmetric dimer is formed. Adjacent molecular dimers are connected by π–π stacking interactions between pyridine rings to form a zigzag molecular chain. The molecular chains are also enforced by N—H⋯Cl and C—H⋯Cl interactions. 相似文献
14.
Zhong‐Lu You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):m383-m385
The two title complexes, [ZnCl2(C11H15N3O3)], (I), and [ZnCl2(C11H15N3O3)]·0.5H2O, (II), are mononuclear zinc(II) compounds. In both structures, the ZnII atom is four‐coordinated in a tetrahedral configuration by one imine N atom and one phenolate O atom of a Schiff base, and by two Cl atoms. The structure of each of the two zinc(II) complex molecules of (II) is similar to that of (I). In (I), the molecules are linked through intermolecular hydrogen bonds, forming a three‐dimensional framework. In (II), the solvent water molecules are linked to the zinc(II) moieties through intermolecular O—H⋯O and O—H⋯Cl hydrogen bonds. The molecules in (II) are further linked via other intermolecular hydrogen bonds, forming a three‐dimensional framework. 相似文献
15.
Bin Liu Jing‐Wen Chen Xiao‐Qing Chen Yi‐Zhi Li 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m42-m44
The asymmetric unit of the title compound, [Ni2(C25H31N4O3)(C2H3O2)2]PF6·0.5H2O, consists of two dinuclear nickel cations, two hexafluorophosphate anions and one water molecule of crystallization. Within each cation, the Ni atoms are bridged by two exogenous acetate groups and an endogenous cresol O atom of a phenolate‐based `end‐off' compartmental ligand that possesses two pendant chelating arms attached to the ortho positions of the phenol ring. Each Ni atom is six‐coordinate with a slightly distorted octahedral geometry. The two symmetry‐independent cations are linked into a dimeric unit through O—H⋯O hydrogen bonds. Additional O—H⋯O, C—H⋯F and C—H⋯O intermolecular interactions link all of the units in the structure into a three‐dimensional framework. 相似文献
16.
Robert T. Stibrany Harvey J. Schugar Joseph A. Potenza 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o354-o357
Two of the title compounds, namely (E)‐1,2‐bis(1‐methylbenzimidazol‐2‐yl)ethene, C18H16N4, (Ib), and (E)‐1,2‐bis(1‐ethylbenzimidazol‐2‐yl)ethene, C20H20N4, (Ic), consist of centrosymmetric trans‐bis(1‐alkylbenzimidazol‐2‐yl)ethene molecules, while 3‐ethyl‐2‐[(E)‐2‐(1‐ethylbenzimidazol‐2‐yl)ethenyl]benzimidazol‐1‐ium perchlorate, C20H21N4+·ClO4−, (II), contains the monoprotonated analogue of compound (Ic). In the three structures, the benzimidazole and benzimidazolium moieties are essentially planar; the geometric parameters for the ethene linkages and their bonds to the aromatic groups are consistent with double and single bonds, respectively, implying little, if any, conjugation of the central C=C bonds with the nitrogen‐containing rings. The C—N bond lengths in the N=C—N part of the benzimidazole groups differ and are consistent with localized imine C=N and amine C—N linkages in (Ib) and (Ic); in contrast, the corresponding distances in the benzimidazolium cation are equal in (II), consistent with electron delocalization resulting from protonation of the amine N atom. Crystals of (Ib) and (Ic) contain columns of parallel molecules, which are linked by edge‐over‐edge C—H⋯π overlap. The columns are linked to one another by C—H⋯π interactions and, in the case of (Ib), C—H⋯N hydrogen bonds. Crystals of (II) contain layers of monocations linked by π–π interactions and separated by both perchlorate anions and the protruding ethyl groups; the cations and anions are linked by N—H⋯O hydrogen bonds. 相似文献
17.
Ilia A. Guzei Lara C. Spencer Robert W. McGaff Heidi M. Kieler Jerome R. Robinson 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o255-o258
Hydrogen bonds of four types (N—H⋯O=C, N—H⋯OH, O—H⋯O=C and O—H⋯OH) connect molecules of the title compound, C14H20N2O4, in the crystal into sheets folded into a zigzag pattern. The intermolecular interactions are discussed in terms of the first‐ through fourth‐level graph sets, and a constructor graph helps visualize the supramolecular assembly. 相似文献
18.
Li Wu Hui‐Min Liu Wen‐Tao Zhao Wen‐Qin Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o435-o437
In the title compound, C28H30BrN3O4, the molecules are linked by C—H⋯Br and N—H⋯O hydrogen bonds into one‐dimensional chains, which are arranged into a three‐dimensional network through a combination of C—H⋯O hydrogen bonds and two kinds of π–π interactions between the benzene rings of the anthraquinone units. 相似文献
19.
Chenguang Li Paul D. Robinson Daniel J. Dyer 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o596-o598
The two components of the title heterodimer, C17H21NO2·C8H5NO2, are linked end‐to‐end via O—H⋯O(=C) and C—H⋯O(=C) hydrogen‐bond interactions. Additional lateral C—H⋯O interactions link the dimers in a side‐by‐side fashion to produce wide infinite molecular ribbons. Adjacent ribbons are interconnected viaπ–π stacking and C—H⋯π(arene) interactions. This structure represents the first evidence of robust hydrogen‐bond formation between the moieties of pyridin‐4(1H)‐one and benzoic acid. 相似文献
20.
Leji Latheef E. Manoj M. R. Prathapachandra Kurup 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):o16-o18
The title compound, C14H19N3OS, is in the thioketo form, with the thione S and hydrazine N atoms cis with respect to each other so that the S atom is involved in inter‐ and intramolecular hydrogen bonds simultaneously. Intermolecular C—H⋯S and C—H⋯O hydrogen bonds result in one‐dimensional polymeric chains of molecules along the a axis. A weak C—H⋯π ring interaction binds the polymeric chains together. 相似文献