共查询到20条相似文献,搜索用时 15 毫秒
1.
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
2.
Raffaella Soave Riccardo Destro 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o507-o509
The asymmetric unit of the title compound, C22H31N3O4·H2O, incorporates one water molecule, which is hydrogen bonded to the 3‐oxo O atom of the indolizidinone system. The two rings of the peptidomimetic molecule are trans‐fused, with the six‐membered ring having a slightly distorted half‐chair conformation and the five‐membered ring having a perfect envelope conformation. The structure is stabilized by intermolecular O—H?O interactions between the water and adjacent peptide molecules, and by N—H?O interactions between the peptide molecules, which link the molecules into infinite chains. 相似文献
3.
M. Yogavel D. Velmurugan W. G. Rajeswaran P. C. Srinivasan H.‐K. Fun 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):o715-o717
The title compound, C15H19NO5, crystallizes in the monoclinic space group P21/c with four molecules in the asymmetric unit, which differ from each other in the orientation of their methoxy groups. Of the three methoxy groups in each molecule, one lies close to the plane of the molecule and the other two have an out‐of‐plane conformation where they point in opposite directions. In the crystal structure, four different types of π‐stacks are observed and the molecules pack in two different types of stacking sheets, with alternating molecules A and B in one ribbon and alternating molecules C and D in the other. The supramolecular structure is supported by C—H⋯O and π–π interactions. 相似文献
4.
Sabahat
zcan Engin Kendi Meral Tunbilek Hakan Gker 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):459-460
The title compound, C21H23ClN4O2·0.5H2O, contains two independent molecules in the asymmetric unit. In each molecule the piperazine ring adopts a chair conformation; the deviations of the piperazine N atoms from the best plane through the remaining four C atoms are ?0.678 (3) and 0.662 (3) Å in molecule A, and 0.687 (3) and ?0.700 (3) Å in molecule B. The molecules are linked by two hydrogen bonds of the O—H?N type involving the O atom of the water molecule of crystallization. 相似文献
5.
The structure of the title compound, fac‐[ReBr(C14H12N2O)(CO)3]·CH4O, consists of neutral mononuclear molecular units of distorted octahedral geometry, with the three carbonyl donors in a facial orientation. The remaining coordination sites are occupied by the Br atom, the pyridine N atom and the ketone O‐atom donor of the ligand. The molecules pack in stacks of antiparallel tapes, with a network of classical (O—H⋯Br) and non‐classical (C—H⋯O) hydrogen bonds between the methanol solvent molecule and the complex molecule. 相似文献
6.
K. Anand Solomon S. S. Rajan G. Gopalakrishnan V. Kashinath V. P. Santhana Krishnan 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):o40-o41
The title compound, C16H19BrO4, is a derivative of osthol, isolated from the seeds of Imperatoria Osthruthium. The structure was solved in space group P, with two molecules in the asymmetric unit, and was refined to a final R factor of 0.064. The two molecules in the asymmetric unit differ in the orientation of their brominated substituent group. The benzopyran ring displays aromatic character. The packing of the molecules in the lattice is mainly due to C—H⋯O hydrogen bonds. 相似文献
7.
Cem Cüneyt Ersanl idem Albayrak Mustafa Odabaolu Carsten Thne Ahmet Erdnmez 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o133-o135
The structure of the title compound, C18H20ClN3O5, displays the characteristic features of azobenzene derivatives. Intramolecular N—H⋯O, weak intramolecular C—H⋯O, and intermolecular O—H⋯O and C—H⋯O interactions influence the conformation of the molecules and the crystal packing. Intermolecular hydrogen bonds link the molecules into infinite chains, and the title compound adopts the keto–amine tautomeric form. The azobenzene moiety of the molecule has a trans configuration. The molecule is not planar, and the dihedral angle between the two phenyl rings is 35.6 (2)°. 相似文献
8.
Ivan Leban Boenna Golankiewicz Joanna Zeidler Gerald Giester Joe Kobe 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o133-o135
In the title compound, C13H13N5O4·H2O (4,5′‐cyclowyosine·H2O), the cyclization forces a syn arrangement of the aglycon with respect to the sugar moiety. The ribofuranose part of the molecule displays a β‐d configuration with an envelope C1′‐endo pucker. The molecules are arranged in columns along the short a axis and are linked to water molecules through O—H?O and O—H?N hydrogen bonds. 相似文献
9.
Muharrem Diner Namk
zdemir Ahmet etin Tekin Keser Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o639-o642
In the title compound, C22H25N5OS·2H2O, the molecules are stacked in columns running along the b axis. In this arrangemant, the molecules are linked to each other by a combination of one two‐centre N—H⋯O hydrogen bond and four two‐centre O—H⋯O hydrogen bonds containing two types of ring motif, viz.R44(10) and R33(11). In the crystal structure, centrosymmetric π–π interactions between the triazole rings, with a distance of 3.691 (2) Å between the ring centroids, also affect the packing of the molecules. 相似文献
10.
Doyle Britton 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):o35-o37
The title compound, C13H9NO, crystallizes with four molecules in the asymmetric unit. Each of the four crystallographically independent molecules forms a chain parallel to the a axis with symmetry‐equivalent molecules. These chains are held together by similar O—H·NC hydrogen bonds, with approximately linear O—H·N angles and significantly bent H·N—C angles. The four different molecules are related by strong elements of pseudosymmetry. To better describe the pseudosymmetry, the structure has been reported in the non‐standard space group . 相似文献
11.
Yu‐Xi Sun Ran Zhang Qing‐Mai Jin Xi‐Jing Zhi Xiao‐Ming Lü 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o467-o469
The two title compounds, both with formula C18H16ClN3O, are structurally similar Schiff bases derived from the condensation of 4‐chlorobenzaldehyde or 2‐chlorobenzaldehyde with 4‐aminoantipyrine in methanol solution. As expected, both compounds adopt trans configurations about the central C=N bonds. In the crystal structure of the 4‐chloro analogue, molecules are linked through weak C—H⋯O hydrogen bonds, forming chains running along the a axis. In the crystal structure of the 2‐chloro analogue, molecules are linked through weak C—H⋯O and C—H⋯Cl hydrogen bonds, forming layers parallel to the ab plane. 相似文献
12.
Franois Loiseau Reinhard Neier Gaël Labat Helen Stoeckli‐Evans 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o636-o638
In the title compound, C9H12Br2O3, a (tetrahydrofuran‐2‐ylidene)acetate, the double bond has the Z form. In the tetrahydrofuran group, the relative configuration of the Br atom in the 3‐position and the methyl group in the 5‐position is anti. The compound crystallizes with two independent molecules per asymmetric unit and, in the crystal structure, the individual molecules are linked to their symmetry‐equivalent molecules by C—H⋯O hydrogen bonds, so forming centrosymmetric hydrogen‐bonded dimers. 相似文献
13.
Chang‐Sheng Gu Xiao‐Min Hao Shu‐Xia Guan Ji‐Wei Liu 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m516-m518
In the title coordination polymer, {[Ba(C8H5Cl2O3)2(H2O)]·H2O}n, each BaII atom is nine‐coordinated by six carboxylate O atoms and one ether O atom from five symmetry‐related 2,4‐dichlorophenoxyacetate ligands, and by two O atoms from water molecules, thus defining a distorted tricapped trigonal prism. The BaII ions are bridged by bidentate water molecules and by tridentate and tetradentate 2,4‐dichlorophenoxyacetate groups, leading to a two‐dimensional layer structure. The crystal structure is further stabilized by hydrogen‐bonding interactions within each layer. 相似文献
14.
Ernesto Castro Luis E. Cuca Suarez Peter Siengalewicz Rene Gutmann Georg Czermak Peter Brueggeller 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o467-o469
The structure of the title compound, C23H32O4, an arylalkanone isolated from the petroleum ether fraction of the ethanol extract of the bark of Virola venosa, has been established by NMR spectroscopy and, for the first time, by X‐ray structure analysis. Two independent molecules of the same enantiomer are present in the unit cell. Both molecules exhibit an intramolecular hydrogen bond, which can be correlated with a rare signal observed at 18.28 p.p.m. in the 1H NMR spectrum. The packing, in space group P1, is determined by a pseudo‐center of symmetry leading to a short intermolecular contact, which is present in one molecule but does not occur in the other. As a consequence, the O—C—C—O torsion angles [−16.9 (3) and −12.7 (3)°] through the ketone and its adjacent hydroxy group are significantly different in the two molecules. 相似文献
15.
Yu‐Ling Wang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m522-m524
In the title compound, {[Zn(C10H8N2)(H2O)4](C6H5O4S)2·3H2O}n, the Zn atom, the bipyridine ligand and one of water molecules are located on twofold rotation axes. The Zn atom is coordinated by four O atoms from four water molecules and two N atoms from two 4,4′‐bipyridine molecules in a distorted octahedral geometry. The Zn2+ ions are linked by the 4,4′‐bipyridine molecules to form a one‐dimensional straight chain propagating along the c axis. The 4‐hydroxybenzenesulfonate counter‐ions are bridged by the solvent water molecules through hydrogen bonds to generate a two‐dimensional layer featuring large pores. In the crystal packing, the intralayer pores form one‐dimensional channels along the c axis, in which the one‐dimensional [Zn(C10H8N2)(H2O)4]2+ chains are encapsulated. Electrostatic interactions between cations and anions and extensive hydrogen bonds result in a three‐dimensional supramolecular structure. 相似文献
16.
A. Subbiah Pandi D. Velmurugan S. Shanmuga Sundara Raj Hoong‐Kun Fun M. C. Bansal 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o302-o304
The title compound, C19H20O6, crystallizes in the centrosymmetric space group P21/c with one molecule in the asymmetric unit. The molecule is approximately planar and the dihedral angle between the phenyl rings is 11.0 (1)°. The H atoms of the central propenone group are trans. There is an intramolecular O—H⃛O hydrogen bond and the molecules are crosslinked by four intermolecular C—H⃛O hydrogen bonds, producing a three‐dimensional network. 相似文献
17.
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
18.
A. Abdul Ajees S. Parthasarathy S. Manikandan R. Raghunathan 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):473-475
The title compound, C23H15Cl2NO3, crystallizes with two independent molecules in the asymmetric unit. The chromanone moiety consists of a benzene ring fused with a six‐membered heterocyclic ring which adopts a sofa conformation. The five‐membered spiroisoxazoline ring is in an envelope conformation. The p‐chlorophenyl rings bridged by the five‐membered ring are nearly perpendicular to each other. The chromanone moiety of one molecule packs into the cavity formed by the p‐chlorophenyl rings of a second molecule through the formation of C—H?π interactions. The structure is stabilized by weak C—H?O, C—H?Cl and C—H?π interactions. 相似文献
19.
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
20.
John N. Low Debbie Cannon Antonio Quesada Antonio Marchal Manuel Melguizo Manuel Nogueras Adolfo Snchez Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):604-607
In the title compound, 2C10H15N5O4·0.5H2O, there are two independent molecules of the pyrimidinylisoleucine in general positions and a water molecule lying on a twofold rotation axis. The bond lengths within the organic moieties demonstrate significant polarization of the electronic structure. Each of the organic molecules participates in 12 intermolecular hydrogen bonds, of O—H?O and N—H?O types, while the water molecule acts as a double donor and as a double acceptor of O—H?O hydrogen bonds. The organic components are linked by the hydrogen bonds into a single three‐dimensional framework, reinforced by the water molecules. 相似文献