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1.
Christina L. Bergstrom Rudy L. Luck Dean C. Luehrs 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e591-e591
The anions in the title compound, 4NH4+·C10H2O84?·4H2O, are held together by regular hydrogen bonds from the carboxylate O atoms to the ammonium cations and water molecules, forming a three‐dimensional network. 相似文献
2.
Marina S. Fonari Eduard V. Ganin Wen‐Jwu Wang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):o431-o433
In the centrosymmetric formula unit of the title complex, C8H16O4·2C18H16S, the 1,4,7,10‐tetraoxacyclododecane molecule adopts the biangular [66] conformation, and the triphenylmethanethiol molecules are linked to the macrocycle via a long S—H⋯O hydrogen bond [S⋯O = 3.460 (2) Å and S—H⋯O = 161 (2)°]. Attractive interactions of phenyl groups in edge‐to‐face conformations combine inversion‐related formula units into chains running along the [111] direction in the crystal structure. Association of the chains into sheets is achieved via C—H⋯π interactions. 相似文献
3.
Anthony Linden Boyan Iliev Heinz Heimgartner 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):o339-o343
The title macrocycle, C26H30N2O6, (VI), was obtained by `direct amide cyclization' from the linear precursor 3‐hydroxy‐N‐[1‐methyl‐1‐(N‐methyl‐N‐phenylcarbamoyl)ethyl]‐2‐phenylpropanamide, the N‐methylanilide of rac‐2‐methyl‐2‐[(3‐hydroxy‐2‐phenylpropanoyl)amino]propanoic acid, C13H17NO4, (IV). The reaction proceeds via the intermediate rac‐2‐(2‐hydroxy‐1‐phenylethyl)‐4,4‐dimethyl‐1,3‐oxazol‐5(4H)‐one, C13H15NO3, (V), which was synthesized independently and whose structure was also established. Unlike all previously described analogues, the title macrocycle has the cis‐diphenyl configuration. The 14‐membered ring has a distorted rectangular diamond‐based [3434] configuration and intermolecular N—H⋯O hydrogen bonds link the molecules into a three‐dimensional framework. The propanoic acid precursor forms a complex series of intermolecular hydrogen bonds, each of which involves pairwise association of molecules and which together result in the formation of extended two‐dimensional sheets. The oxazole intermediate forms centrosymmetric hydrogen‐bonded dimers in the solid state. 相似文献
4.
Pawe Wagner Mieczysaw apkowski Maciej Kubicki 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):o155-o156
Molecules of the title compound, C20H28O4S2, the first compound with a tetraoxacyclohexacosane ring to be structurally characterized, lie on crystallographic centres of inversion, but have approximate C2h molecular symmetry. The parallel thiophene rings are almost exactly planar; the overall conformation of the molecule is chair‐like. The molecules have voids that could, in principle, accommodate small guest molecules, although in the crystal structure access to these voids is blocked by neighbouring molecules. 相似文献
5.
Hiroki Akutsu Jun‐ichi Yamada Shin'ichi Nakatsuji 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o433-o434
The title compound, C24H20P+·C9H17NO5S−, consists of an organic monovalent cation and an organic monovalent anion, the latter being derived from the TEMPO radical (TEMPO is 2,2,6,6‐tetramethylpiperidin‐1‐oxyl). Two inversion‐related anions interact via two –O—H⃛O—S– hydrogen bonds, forming a dimer in which there are no short contacts between the spin centres (–N—O) of the TEMPO(OH)SO3− anions. Furthermore, no significant magnetic interaction is observed between the dimers because the dimer is surrounded by cations. These results are consistent with the paramagnetic behaviour of the title salt. 相似文献
6.
Jian Huang Yi‐Zhi Li Gang‐Chun Sun Rong‐Bin Dai Qin‐Xi Li Liu‐Fang Wang Chun‐Gu Xia 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):e489-e490
In the title complex, [Cu(C6H4FN2O4)2(H2O)4]·4H2O, the Cu atom is located in the centre of a distorted octahedral geometry. The coordination atoms are six O atoms provided by two carboxylate groups [coordinated in a monodentate mode, with Cu—O = 1.9551 (10) Å] and four water molecules [Cu—O = 1.9241 (13) and 2.5771 (14) Å]. In addition, one intramolecular hydrogen bond and ten intermolecular hydrogen bonds make up a three‐dimensional network. 相似文献
7.
Paul D. Robinson Duy H. Hua Jingmei Fan Lanzhu Liu James W. McGill Mohammed Arshid Cal Y. Meyers 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1471-1472
The title compound, C14H20O8, was synthesized from the hydrogenation of tetramethyl 1,4‐cyclohexadiene‐1,2,4,5‐tetracarboxylate with a catalytic amount of palladium/carbon. All four carbonyl moieties of the methyl ester groups are on the same face of the chair‐conformed ring. The substantial ring distortion associated with the 1,3‐diaxial methoxycarbonyl substituents is reflected in the large difference between bond angles as well as torsion angles, respectively, that in undistorted cyclohexanes would be approximately the same. 相似文献
8.
Anthony Linden Bruce D. James 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):m439-m440
The As and Tl atoms in title compound, (C24H20As)[TlI4], sit on fourfold inversion centres, resulting in a [TlI4]? anion with D2d symmetry and a Tl—I bond length of 2.7691 (3) Å. The tetrahedral anion is tetragonally distorted, being flattened in the direction of the c axis of the tetragonal unit cell, so that the two unique I—Tl—I angles differ by about 9°. In contrast, the cation has S4 symmetry and the tetrahedral coordination geometry of the As atom is very slightly stretched in the direction of the c axis. 相似文献
9.
Jan W. Bats Andreas Rivas Nass A. Stephen K. Hashmi 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):814-817
The crystal structure of the title compound, (2,2′‐bipyridyl‐κ2N,N′)(tetraallyl 3,3,3′,3′‐tetramethyl‐1,1′‐bicyclopropane‐1,1′,2,2′‐tetracarboxylato‐κ2C2,C2′)palladium(II), [Pd(C26H32O8)(C10H8N2)], is disordered above 194 K. A doubling of the unit cell is observed on cooling. The structure at 143 K contains two ordered molecules related by a pseudo‐translation vector of approximately (0.44,0.00,0.50) or a pseudo‐inversion center at approximately (0.22,0.00,0.25). Weak intermolecular C—H?O interactions are enhanced in the low‐temperature structure. 相似文献
10.
Hong‐Xia Zhang Shou‐Tian Zheng Guo‐Yu Yang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o545-o546
The title compound, tetramethylammonium 4,4′,6,6′‐tetrahydroxy‐2,2′‐spirobi(cyclotriboroxane) 0.25‐hydrate, C4H12N+·B5H4O10−·0.25H2O, was synthesized under mild solvothermal conditions. The B5O6(OH)4− clusters are connected by strong hydrogen‐bonding interactions into a three‐dimensional structure containing rectangular channels along the a axis, in which the C4H12N+ ions and water molecules are located. 相似文献
11.
Alexander B. Zolotoy Mark Botoshansky Menahem Kaftory 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o148-o150
The title compound, C9H12N2O, crystallizes in a triclinic unit cell, with two crystallographically independent molecules in the asymmetric unit. The two independent molecules adopt different modes of packing. One type of molecule is arranged in infinite columns, while the other type packs as dimers, forming spacers between the parallel columns. Each type of molecule is arranged in pairs related by inversion centers. The distances between potential reaction centers are 3.395 (2), 3.457 (2) and 3.522 (2) Å. As a result of the symmetry of the pairs and the close distances between the potential photoreactive centers, it is expected that the dimer will be the anti–trans isomer. 相似文献
12.
Mohammed Sydia Mohamed Said Ould Bahia Djerrari M'Barek El Abbassi Jilali Fifani El‐Mokhtar Essassi Brahim El‐Bali Michael Bolte 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e165-e166
The title compound, C14H16N2O2, contains a diazepine ring, which appears in a boat conformation. An intramolecular hydrogen bond is formed between the NH group of the diazepine ring and a carbonyl O atom of one of the side chains. 相似文献
13.
M. Enriqueta Díaz de Vivar Sergio Baggio Andrs Ibaez Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):m451-m453
In the title complex of zinc(II) with 3,4,7,8‐tetramethyl‐1,10‐phenanthroline (tmph), viz. [Zn(C16H16N2)(H2O)4](S2O3), the metal atom has a monomeric octahedral ZnN2O4 complex environment comprising two N‐atom donors from the tmph group and four aqua O‐atom donors. The complex cation is connected to four thiosulfate anions through a compact hydrogen‐bonding network involving all coordinated aqua H‐atom donors and all the outer acceptors (O and S) of the anion. 相似文献
14.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1220-1221
The title compound, C18H18, crystallized in the centrosymmetric space group P21/c with one molecule as the asymmetric unit. The methyl‐group H atoms at the 4 and 5 positions are ordered, while those at the 2 and 7 positions are disordered. The torsion of the bay region of the core is notably similar to that of other 4,5‐dimethylphenanthrenes. No substantial C—H?π interaction occurs in this structure. 相似文献
15.
Neil M. Boag Kathleen M. Coward Anthony C. Jones Martyn E. Pemble J. Robin Thompson 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1438-1439
The hydrolysis product [Ga2(C3H7)4(OH)2]·C14H32N4, derived from the tetrakis(triisopropylgallium)–1,4,8,11‐tetramethyl‐1,4,8,11‐tetraazacyclotetradecane (1/1) adduct, consists of a centrosymmetric [iPr2Ga(μ‐OH)]2 unit hydrogen bonded through the hydroxyl group to a nitrogen on an adjacent centrosymmetric 1,4,8,11‐tetramethyl‐1,4,8,11‐tetraazacyclotetradecane molecule, resulting in the generation of a molecular chain through the crystal. 相似文献
16.
V. H. Rodrigues C. Cardoso J. A. Paixo M. M. R. R. Costa 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o243-o245
In the title compound, C9H18NO+·NO3−, the piperidinium ring adopts a slightly deformed chair conformation and the nitrate anion is disordered. The ions are arranged in hydrogen‐bonded chains parallel to [001], in which the cations alternate with the anions. The intrachain hydrogen bonds are bifurcated and link the O atoms of the anions to the N atoms of the cations. 相似文献
17.
A. Criado M. J. Dinez S. Prez‐Garrido I. M. L. Fernandes M. Belsley E. De Matos Gomes 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):888-889
In the title compound, C5H14N3+·H2PO4?, the cation has a central guanidinium fragment with a planar geometry, as expected for a central Csp2 atom with a small charge delocalization along the three C—N bonds. The crystal packing is governed by hydrogen bonds so that the phosphate anions are linked head to tail, forming chains running parallel to the c direction. These chains in turn are interconnected by hydrogen bonds to intermediate tetramethylguanidinium cations forming hydrogen‐bonded molecular layers stacked parallel to the bc crystal planes. 相似文献
18.
Feyissa Gadissa Gelalcha Brbel Schulze Peter Lnnecke 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o180-o182
The title compound, C6H12O4, also known as dimeric acetone peroxide, Me2(C2O4)Me2, has crystallographically imposed inversion symmetry and adopts a chair conformation in the solid state. This structure contrasts with that of the sulfur homologue Me2(C2S4)Me2, which has crystallographically imposed symmetry and crystallizes in a twist‐boat conformation. Crystals of the title compound are twinned along the reciprocal c* axis. 相似文献
19.
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
20.
Jem‐Mau Lo Golam Mostafa Ling‐Yin Chang Fen‐Ling Liao Tian‐Huey Lu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o276-o277
The title compound, C10H18N2S2, acts as an important precursor for the synthesis of the pharmaceutically important diaminedithiol ligand system. The molecule has a local twofold axis and the arrangement of the S2N2 donor atoms in the macrocycle is anticlinal. 相似文献