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1.
Peter G. Jones 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):880-882
The crystal structure of the title compound, C5H5NO·H2O, contains five independent molecules of pyridone and six independent water molecules. The space group is P21, but four of the pyridones and four waters correspond closely to P21/n. The packing involves two layers; one consists of head‐to‐tail chains of pyridone molecules 1–4 linked by N—H?O hydrogen bonds, and a second layer involves all the waters and the fifth pyridone. The layers are linked by hydrogen bonds from water to pyridone oxygen. The four water O atoms that accept only one classical hydrogen bond have their environment completed by C—H?O interactions. 相似文献
2.
Masood Parvez Saeed Arayne Najma Sultana Ahsan Zamir Siddiqi 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o281-o283
The structure of the title compound, 1‐ethyl‐6‐fluoro‐1,4‐dihydro‐4‐oxo‐7‐(piperazin‐4‐ium‐1‐yl)‐1,8‐naphthyridine‐3‐carboxylate trihydrate, C15H17FN4O3·3H2O, has a zwitterion of enoxacin and three water molecules in the asymmetric unit. The zwitterions form sheets lying parallel to each other and are hydrogen bonded in a head‐to‐tail manner. The crystal structure is stabilized by the involvement of O and H atoms from all the water molecules in strong hydrogen bonds. The naphthyridine ring system is essentially planar, with the carboxylate group lying out of this plane at an angle of 26.13 (6)° and the ethyl group oriented at approximately right angles to this plane. The piperazinium ring adopts a chair conformation. 相似文献
3.
Graham Smith Urs D. Wermuth Peter C. Healy Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):o203-o207
The structures of two pseudopolymorphic hydrates of brucine, C23H26N2O4·4H2O, (I), and C23H26N2O4·5.25H2O, (II), have been determined at 130 K. In both (I) and (II) (which has two independent brucine molecules together with 10.5 water molecules of solvation in the asymmetric unit), the brucine molecules form head‐to‐tail sheet substructures, which associate with the water molecules in the interstitial cavities through hydrogen‐bonding associations and, together with water–water associations, give three‐dimensional framework structures. 相似文献
4.
Joanna Meszko Karol Krzymiski Antoni Konitz Jerzy Baejowski 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o460-o462
The title compound, alternatively called N‐acridin‐9(10H)‐ylidene‐2,2,2‐trichloroacetamide monohydrate, C15H9Cl3N2O·H2O, crystallizes in space group P21/c with Z = 4. The acridine moieties are arranged in layers, tilted at an angle of 15.20 (4)° relative to the ac plane, while adjacent molecules pack in a head‐to‐tail manner. Acridine and water molecules form columns along the b axis held in place by a network of hydrogen bonds, which is the major factor stabilizing the lattice. The acridine molecule exhibits structural features of both the amino and imino forms, which could be due to the presence of the strong electronegative trichloroacetyl substituent at the exocyclic N atom. 相似文献
5.
Jacek Zaleski Grzegorz Spaleniak Janusz B. Kyzio 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o627-o629
The geometries of the thiazole ring and the nitramino groups in N‐(3H‐thiazol‐2‐ylidene)nitramine, C3H3N3O2S, (I), and N‐methyl‐N‐(thiazol‐2‐yl)nitramine, C4H5N3O2S, (II), are very similar. The nitramine group in (II) is planar and twisted along the C—N bond with respect to the thiazole ring. In both structures, the asymmetric unit includes two practically equal molecules. In (I), the molecules are arranged in layers connected to each other by N—H⋯N and much weaker C—H⋯O hydrogen bonds. In the crystal structure of (II), the molecules are arranged in layers bound to each other by both weak C—H⋯O hydrogen bonds and S⋯O dipolar interactions. 相似文献
6.
Irene Ara Fatima El Bahij Mohamed Lachkar Najib Ben Larbi 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):m199-m200
The Pd atom in the title compound, [Pd(C3H5OS2)2], lies on an inversion center and adopts a square‐planar coordination geometry defined by the four S atoms of the two dithiocarbonate (xanthate) ligands. In the solid state, the molecules aggregate into layers in which the rows of molecules alternate their orientation to allow each Pd atom to interact with two symmetry‐equivalent S atoms of the xanthate ligands of adjacent molecules, generating a pseudo‐octahedral environment around each Pd atom. This weak interaction of 3.3579 (7) Å can be classified as a closed‐shell electrostatic intermolecular interaction. 相似文献
7.
Carl Henrik Grbitz 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):e64-e65
The crystal structure of the title compound, C8H16N2O3S·2C3H8O, is divided into hydrophobic and hydrophilic layers. Two peptide molecules in the asymmetric unit are related by pseudo‐translational symmetry along the a axis, as are two of the four 2‐propanol molecules. The last two 2‐propanol molecules in the asymmetric unit have different relative orientations and hydrogen‐bond interactions. 相似文献
8.
Genivaldo Julio Perptuo Jan Janczak 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o112-o114
The crystals of the title new melaminium salt, 2,4,6‐triamino‐1,3,5‐triazin‐1‐ium acetate acetic acid solvate monohydrate, C3H7N6+·CH3COO?·CH3COOH·H2O, are built up from singly protonated melaminium residues, acetate anions, and acetic acid and water molecules. The melaminium residues are interconnected by N—H?N hydrogen bonds to form chains along the [010] direction. These chains of melaminium residues form stacks aligned along the a axis. The acetic acid molecules interact with the acetate anions via the H atom of their carboxylic acid groups and, together with the water molecules, form layers that are parallel to the (001) plane. The oppositely charged moieties interact via multiple N—H?O hydrogen bonds that stabilize a pseudo‐two‐dimensional stacking structure. 相似文献
9.
Chuan‐De Wu Can‐Zhong Lu Hong‐Hui Zhuang Jin‐Shun Huang 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m283-m285
In the structure of the title compound, [Er(C6H6NO6)(H2O)]n, the Er atoms are eight‐coordinated by one N atom and six O atoms from three symmetry‐related nitrilotriacetate (NTA) ligands, and by one O atom of a water molecule, adopting a distorted square‐antiprismatic geometry. The Er atoms are linked by the NTA ligands into layers, which are interconnected via O—H?O hydrogen bonds between the water molecules and the carboxylate O atoms. The asymmetric unit contains one Er atom, one NTA ligand and one water molecule, all of which are located in general positions. 相似文献
10.
Sergei D. Kirik Aleksandr K. Starkov Galina A. Kozhuhovskay 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):m249-m251
The title compound, [PtCl2(C3H9N)(NH3)], was obtained from potassium tetrachloroplatinate(II) by a two‐step route. Ab initio crystal structure determination was carried out using X‐ray powder diffraction techniques. Patterson and Fourier syntheses were used for the atom locations and the Rietveld technique for the final structure refinement. The Pt coordination is close to planar, with Cl atoms in a cis orientation. Molecules are combined into groups of two molecules, with antiparallel PtN2Cl2 planes and a shortest Pt⋯Pt distance of 3.42 Å. The molecule groups are packed in a parquet motif into corrugated layers parallel to ab. The molecules in the layers are linked by H—N⋯Cl hydrogen bonds. 相似文献
11.
Krzysztof Ejsmont Andrzej A. Domaski Janusz B. Kyzio Jacek Zaleski 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o368-o370
The crystal structure of the α isomer of trans‐4‐bromoazoxybenzene [systematic name: trans‐1‐(bromophenyl)‐2‐phenyldiazene 2‐oxide], C12H9BrN2O, has been determined by X‐ray diffraction. The geometries of the two molecules in the asymmetric unit are slightly different and are within ∼0.02 Å for bond lengths, ∼2° for angles and ∼3° for torsion angles. The azoxy bridges in both molecules have the typical geometry observed for trans‐azoxybenzenes. The crystal network contains two types of planar molecules arranged in columns. The torsion angles along the Ar—N bonds are only 7 (2)°, on either side of the azoxy group. 相似文献
12.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o675-o677
In the title adduct, 1,3,5,7‐tetraazatricyclo[3.3.1.13,7]decane–4‐nitrobenzene‐1,2‐diol–water (1/2/1), C6H12N4·2C6H5NO4·H2O, the hexamethylenetetramine molecule acts as an acceptor of intermolecular O—H?N hydrogen‐bonding interactions from the water molecule and the hydroxy groups of one of the two symmetry‐independent 4‐nitrocatechol molecules. The structure is built from molecular layers which are stabilized by three intermolecular O—H?O, two intermolecular O—H?N and four intermolecular C—H?O hydrogen bonds. The layers are further interconnected by one additional intermolecular O—H?N and two intermolecular C—H?O hydrogen bonds. 相似文献
13.
Rubn A. Toscano Emma Maldonado Alfredo Ortega Jorge Crdenas 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):846-847
The absolute configuration of the neoclerodane glycoside amarisolide, presented here as the monohydrate, C26H36O9·H2O, has been determined by association with the known configuration of the glucose moiety. Its structure was established as 2β‐(O‐β‐d ‐glucopyranosyl)neocleroda‐3,13(16),14‐trien‐15,16‐epoxy‐18,19‐olide. Extensive hydrogen bonding among the hydroxyl groups of the sugar moiety forms layers which are interconnected by water molecules. 相似文献
14.
Tali Lavy Yana Sheynin Moshe Kapon Menahem Kaftory 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o50-o53
The crystal structures of three 1:2 inclusion compounds that consist of host molecule 2,5‐diphenylhydroquinone (C18H14O2) and the guest molecules 2‐pyridone (C5H5NO), 1,3‐diphenyl‐2‐propen‐1‐one (chalcone, C15H12O) and 1‐(4‐methoxyphenyl)‐3‐phenyl‐2‐propen‐1‐one (4′‐methoxychalcone, C16H14O2) were determined in order to study the ability of guest molecules in inclusion compounds to undergo photoreaction. All of the crystals were found to be photoresistant. The three inclusion compounds crystallize in triclinic space group . In each case, the host/guest ratio is 1:2, with the host molecules occupying crystallographic centers of symmetry and the guest molecules occupying general positions. The guest molecules in each of the inclusion compounds are linked to the host molecules by hydrogen bonds. In the inclusion compound where the guest molecule is pyridone, the host molecule is disordered so that the hydroxy groups are distributed between two different sites, with occupancies of 0.738 (3) and 0.262 (3). The pyridone molecules form dimers via N—H⋯O hydrogen bonds. 相似文献
15.
M. Ramos Silva A. Matos Beja L. Alte da Veiga J. A. Paixo A. J. F. N. Sobral N. G. C. L. Rebanda A. M. d'A. Rocha Gonsalves 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1136-1138
The title compound, C27H37N, which is intended to be included in the structure of a sulfonamide porphyrin for the preparation of Langmuir–Blodgett films, consists of a dodecyl chain linked to an anthracene molecule through an aminomethyl group. The angle between the least‐squares plane of the anthracene and the dodecyl chain is 11.44 (8)°. The molecules are arranged in zigzag layers head‐to‐head, with the hydrocarbon chains side‐by‐side. The structure is stabilized by C—H?π interactions, the strongest having an H?centroid distance of 2.63 Å. 相似文献
16.
Jan Janczak Genivaldo Julio Perptuo 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o455-o459
The crystal structure of the new melaminium salt, hexakis(2,4,6‐triamino‐1,3,5‐triazin‐1‐ium) tetrakis(dihydrogenphosphate) monohydrogenphosphate tetrahydrate, 6C3H7N6+·4H2PO4?·HPO42?·4H2O, is built up from singly protonated melaminium residues, dihydrogenphosphate and monohydrogenphosphate anions, and water molecules. The melaminium residues are interconnected by four N—H?N hydrogen bonds, forming chains along the [001] direction. These chains of melaminium residues form stacks aligned along [100]. The dihydrogenphosphate anions interact with the monohydrogenphosphate anions via the H atoms and, together with hydrogen‐bonded dimers of the water molecules, develop layers parallel to the (010) plane. The oppositely charged moieties interact via multiple N—H?O hydrogen bonds that stabilize the stacking structure. 相似文献
17.
Dmitry Yu. Naumov Anton I. Smolentsev 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):i49-i50
The structure of barium chlorite hydrate, Ba(ClO2)2·3.5H2O, has been determined by single‐crystal X‐ray analysis at 150 K. The structure is monoclinic, space group C2/c, with Z = 8. It contains layers of Ba2+ cations coordinated by ClO2− anions and water molecules. There are also solvate water molecules involved only in hydrogen bonding of the layers. Three solvate water O atoms are on sites of twofold symmetry, while all other atoms are in general positions. The full coordination environment of the Ba2+ cation consists of ten O atoms belonging to six chlorites and three water molecules, forming a bicapped square antiprism. 相似文献
18.
Katharine F. Bowes George Ferguson Christopher Glidewell John N. Low Antonio Quesada 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o551-o554
N,N′‐Dithiobisphthalimide crystallizes from nitrobenzene solution as a solvate, 2C16H8N2O4S2·C6H5NO2, having space group Pn. The bisphthalimide molecules are linked by C—H?O hydrogen bonds and by aromatic π–π‐stacking interactions, forming a framework enclosing continuous channels running along the [100] direction and accounting for ca 20% of the unit‐cell volume. The nitrobenzene molecules lie in these channels, ordered in a head‐to‐tail fashion and linked to the bisphthalimide framework by C—H?O and C—H?π(arene) hydrogen bonds. 相似文献
19.
Graham Smith Urs D. Wermuth Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):o694-o698
The structures of two compounds of l ‐tartaric acid with quinoline, viz. the proton‐transfer compound quinolinium hydrogen (2R,3R)‐tartrate monohydrate, C9H8N+·C4H5O6−·H2O, (I), and the anhydrous non‐proton‐transfer adduct with quinaldic acid, bis(quinolinium‐2‐carboxylate) (2R,3R)‐tartaric acid, 2C10H7NO2·C4H6O6, (II), have been determined at 130 K. Compound (I) has a three‐dimensional honeycomb substructure formed from head‐to‐tail hydrogen‐bonded hydrogen tartrate anions and water molecules. The stacks of π‐bonded quinolinium cations are accommodated within the channels and are hydrogen bonded to it peripherally. Compound (II) has a two‐dimensional network structure based on pseudo‐centrosymmetric head‐to‐tail hydrogen‐bonded cyclic dimers comprising zwitterionic quinaldic acid species which are interlinked by tartaric acid molecules. 相似文献
20.
Andrew Hempel Norman Camerman Donald Mastropaolo Arthur Camerman 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1225-1227
The crystal structure of the title compound contains four 2,4‐diamino‐5‐methyl‐6‐[(3,4,5‐trimethoxyanilino)methyl]quinazoline molecules, two dimethyl sulfoxide molecules and three water molecules in the asymmetric unit, i.e. 4C19H23N5O3·2C2H6OS·3H2O. All four quinazoline molecules adopt trans,gauche conformations. An extensive hydrogen‐bond network involving N?N base‐pairing interactions, as well as the dimethyl sulfoxide and water molecules, stabilizes the crystal structure. 相似文献