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1.
Gnana Sutha Siluvai Babu Varghese Narasimha N. Murthy 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o380-o382
In the title salt, 1,3‐bis{[2‐(2‐pyridinio)ethyl][2‐(2‐pyridyl)ethyl]amino}benzene diperchlorate dihydrate, C34H38N62+·2ClO4−·2H2O, the cation contains two ethylpyridyl and two ethylpyridinium pendant pairs anchored to the two N atoms of 1,3‐phenylenediamine. The pyridyl and pyridinium N atoms are flanked by a molecule of water through strong hydrogen‐bonding interactions [N—H⋯O = 2.762 (6) and 2.758 (6) Å, and O—H⋯N = 2.834 (6) and 2.839 (6) Å]. The water molecules have weak hydrogen‐bonding interactions with the perchlorate anions as well. One of the perchlorate anions is severely disordered. 相似文献
2.
Jinping Wang Ninghai Hu Kuiyue Yang Haiyuan Zhang Chunji Niu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):m52-m54
The title complex, [Gd2(C3H7NO2)4(H2O)8](ClO4)6, contains centrosymmetric dimeric [Gd2(Ala)4(H2O)8]6+ cations (Ala is α‐alanine) and perchlorate anions. The four alanine molecules act as bridging ligands linking two Gd3+ ions through their carboxylate O atoms. Each Gd3+ ion is also coordinated by four water molecules, which complete an eightfold coordination in a square‐antiprism fashion. The perchlorate anions and the methyl groups of the alanine ligands are disordered. 相似文献
3.
Sandra Scherb Christian Nther Wolfgang Bensch 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):m135-m136
In the crystal structure of the title compound, [Ni2(C4H4O6)2(H2O)2]·3H2O, two nickel cations, two tartrate anions and two water molecules form the dimeric complex. Each nickel cation is in a distorted octahedral environment composed of four O atoms of two crystallographically independent tartrate anions, one water molecule and one O atom of a symmetry‐equivalent tartrate anion. The asymmetric unit contains three additional water molecules which are connected via hydrogen bonding. 相似文献
4.
Olexyj M. Huta Ihor O. Patsaj Antoni Konitz Joanna Meszko Jerzy Baejowski 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):o295-o297
The title compound, C15H11N2+·HN2O6?, crystallizes in the monoclinic space group C2/c with four molecules in the unit cell. The planar 9‐cyano‐10‐methylacridinium cations lie on crystallographic twofold axes and are arranged in layers, almost perpendicular to the ac plane, in such a way that neighbouring molecules are positioned in a `head‐to‐tail' manner. These cations and the hydrogen dinitrate anions are linked through C—H?O interactions involving four of the six O atoms of the anion and the H atoms attached to the C atoms of the acridine moiety in ring positions 2 and 4. The H atom of the hydrogen dinitrate anion appears to be located on the centre of inversion relating two of the four O atoms engaged in the above‐mentioned C—H?O interactions. In this way, columns of either anions or cations running along the c axis are held in place by the network of C—H?O interactions, forming a relatively compact crystal lattice. 相似文献
5.
Andrey I. Buvaylo Nikolay M. Dudarenko Igor O. Fritsky Jolanta
witek‐Kozowska 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m331-m333
The title compound, [Ni(C2H8N2)3][Ni(C3HN3O2)2]·H2O, appears to be a modular associate consisting of two complex counter‐ions, containing bivalent nickel as the central atom in both cases, and a solvent water molecule. The NiII ion in the complex cation lies on the C2 crystallographic axis. Its coordination environment is formed by six N atoms of three ethylenediamine (en) molecules, representing a distorted octahedral geometry. The NiII ion in the complex anion occupies a position at the center of inversion. It exhibits a distorted square‐planar coordination geometry formed by four N atoms belonging to the deprotonated oxidoimine and amide groups of the two doubly charged 2‐cyano‐2‐(oxidoimino)acetamidate anions, situated in trans positions with respect to each other. In the crystal packing, the complex anions are linked by water molecules via hydrogen bonds between the amide O atoms and water H atoms, forming chains translated along the a direction. The [Ni(en)3]2+ cations fill empty spaces between the translational chains, connecting them by hydrogen bonds between the oxime and amide O atoms of the anions and the amine H atoms of the cations, forming layers along the ac plane. The water molecules provide connection between layers through N atoms of the cations, thus forming a three‐dimensional modular structure. 相似文献
6.
trans‐Diaquabis(5‐carboxy‐1H‐imidazole‐4‐carboxylato‐κ2N3,O4)cobalt(II) 4,4′‐bipyridine solvate
Rong Cao Yu‐Ling Wang Wen‐Hua Bi 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):m609-m611
In the title compound, [Co(C5H3N2O4)2(H2O)2]·C10H8N2, the Co atom is trans‐coordinated by two pairs of N and O atoms from two monoanionic 4,5‐dicarboxyimidazole ligands, and by two O atoms from two coordinated water molecules, in a distorted octahedral geometry. The 4,4′‐bipyridine solvent molecule is not involved in coordination but is linked by an N—H⋯N hydrogen bond to the neutral [Co(C5H3N2O4)2(H2O)2] molecule. Both molecules are located on inversion centers. The crystal packing is stabilized by N—H⋯N and O—H⋯O hydrogen bonds, which produce a three‐dimensional hydrogen‐bonded network. Offset π–π stacking interactions between the pyridine rings of adjacent 4,4′‐bipyridine molecules were observed, with a face‐to‐face distance of 3.345 (1) Å. 相似文献
7.
Li‐Qin Xiong Chuan‐Min Qi 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):m10-m12
The title compound, [La2(C8H3NO6)2(C8H4NO6)2(H2O)6]·2H2O, consists of dimeric units related by an inversion center. The two LaIII atoms are linked by two bridging bidentate carboxylate groups and two monodentate carboxylate groups. Each LaIII atom is nine‐coordinated by six O atoms from five different carboxylate groups and three from water molecules. Hydrogen bonds between the water molecules and between the solvent water and a carboxylate O atom are observed in the structure. In the crystal packing, there are slipped π–π stacking interactions between the parallel benzene rings. Both hydrogen‐bonding and π–π interactions combine to stabilize the three‐dimensional supramolecular network. 相似文献
8.
Chengbing Ma Feng Chen Changneng Chen Qiutian Liu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m516-m518
In the title compound, [Mn(C5H3N2O4)2(H2O)2], the MnII atom lies on an inversion centre, is trans‐coordinated by two N,O‐bidentate 1H‐imidazole‐4,5‐dicarboxylate monoanionic ligands [Mn—O = 2.202 (3) Å and Mn—N = 2.201 (4) Å] and two water molecules [Mn—O = 2.197 (4) Å], and exhibits a distorted octahedral geometry, with adjacent cis angles of 76.45 (13), 86.09 (13) and 89.20 (13)°. The complete solid‐state structure can be described as a three‐dimensional supramolecular framework, stabilized by extensive hydrogen‐bonding interactions involving the coordinated water molecules, the carboxy O atoms and the protonated imidazole N atoms of the imidazole‐4,5‐dicarboxylate ligands. 相似文献
9.
Christopher Glidewell George Ferguson Alan J. Lough 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):855-858
The title compound, 4,4′‐bipyridinium ethane‐1,2‐diyl‐1,2‐diphosphonate dihydrate, is a hydrated salt, C10H10N22+·C2H6O6P22?·2H2O, in which the components are linked by extensive hydrogen bonding. The cations and anions lie on inversion centres and with the water molecules each form separate one‐component one‐dimensional chains along [100]: the anions and the water molecules form a two‐component two‐dimensional substructure, (001) sheets, while the cations and anions form a second two‐component two‐dimensional substructure, (011) sheets. All three components combine to form a three‐dimensional framework. 相似文献
10.
Shyamaprosad Goswami Reshmi Mukherjee Kumaresh Ghosh Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):477-478
In the title cocrystal, 2‐aminopyrimidine–(+)‐camphoric acid (1/1), C4H5N3·C10H16O4, the 2‐aminopyrimidine forms two eight‐membered hydrogen‐bonded rings with two different camphoric acid molecules. This results in infinite wave‐like chains of molecules in which neighbouring chains are connected by weak C—H?O contacts. The five‐membered ring in the acid molecule adopts a half‐chair conformation. 相似文献
11.
Krishnan Ravikumar Balasubramanian Sridhar 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o212-o214
In the title compound, 2C5H6N5+·C8H4O42−·C8H6O4·1.45H2O, the asymmetric unit comprises two adeninium cations, two half phthalate anions with crystallographic C2 symmetry, one neutral phthalic acid molecule, and one fully occupied and one partially occupied site (0.45) for water molecules. The adeninium cations form N—H⋯O hydrogen bonds with the phthalate anions. The cations also form infinite one‐dimensional polymeric ribbons via N—H⋯N interactions. In the crystal packing, hydrogen‐bonded columns of cations, anions and phthalate anions extend parallel to the c axis. The water molecules crosslink adjacent columns into hydrogen‐bonded layers. 相似文献
12.
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
13.
Jos Antnio Paixo Manuela Ramos Silva Ana Matos Beja Abílio J. F. N. Sobral Susana H. Lopes A. M. d'A. Rocha Gonsalves 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):o721-o723
In the title compound, C15H17NO2, the ethoxycarbonyl group is anti with respect to the pyrrole N atom. The angle between the planes of the phenyl and pyrrole rings is 48.26 (9)°. The molecules are joined into dimeric units by a strong hydrogen bonds between pyrrole N—H groups and carbonyl O atoms. The geometry of the isolated molecule was studied by ab initio quantum mechanical calculations, employing both molecular orbital Hartree–Fock (MO–HF) and density functional theory (DFT) methods. The minimum energy was achieved for a conformation where the angle between the planes of the phenyl and pyrrole rings is larger, and that between the ethoxycarbonyl and pyrrole planes is smaller than in the solid‐state molecule. 相似文献
14.
Viktor A. Tafeenko Vladimir V. Chernyshev 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m298-m300
The coordination of the 3‐cyano‐4‐dicyanomethylene‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olate anion to ZnII, the apical sites of which are occupied by two water molecules, results in the formation of two‐dimensional layers of the title coordination polymer, {[Zn(C8HN4O2)2(H2O)2]·2H2O}n, in which the ZnII cations lie on inversion centres in space group C2/c, with water ligands in the apical sites of octahedral geometry. Hydrogen bonds between coordinated and lattice water molecules, and π–π stacking interactions between the anions link adjacent layers into a continuous framework. 相似文献
15.
Md. Akhtaruzzaman Masaaki Tomura Yoshiro Yamashita 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):751-753
The title compound, C20H10N4S, and its dipyridinium salt, 4,4′‐(2,1,3‐benzodiazol‐4,7‐diyldiethynyl)dipyridinium diperchlorate, C20H12N4S2+·2ClO4?, display bond alternation in the 2,1,3‐benzothiadiazole rings, which suggests their quinonoid character. The dipyridinium dication molecules stack along the a axis and form a dimer with short S?N interheteroatom contacts [3.146 (4) Å] between the two 1,2,5‐thiadiazole rings. The dimer is surrounded by the perchlorate anions with which it forms a large number of intermolecular N—H?O and C—H?O hydrogen bonds. 相似文献
16.
Jun Luo Xin‐Rong Zhang Li‐Li Cui Wei‐Quan Dai Bao‐Shu Liu 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m614-m616
The two new title complexes, [Mn(C5H3N6)2(H2O)2] and [Zn(C5H3N6)2(H2O)2], are isomorphous. In both compounds, the metal atom is located on an inversion center and is coordinated by four N atoms from two 5‐(pyrazin‐2‐yl)‐1H‐tetrazolate anions in the basal plane and by two O atoms of water ligands in the apical positions to form a distorted octahedral geometry. Intermolecular hydrogen‐bond interactions between the uncoordinated N atoms of the tetrazolate anions and the H atoms of the water molecules lead to the formation of a three‐dimensional network. 相似文献
17.
Si‐Si Feng Li‐Ping Lu Shu‐Xia Wang Li Li Miao‐Li Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(3):m105-m108
The title compound, [FeCl2(C24H21N7)]Cl·C2H5OH·2H2O, comprises an [FeCl2(C24H21N7)]+ cation, a Cl− anion, an ethanol molecule and two water molecules. The cations are linked by π–π and C—H⋯π interactions into one‐dimensional tapes, and hydrogen bonding between the cations, Cl− anions, and ethanol and water molecules links these tapes into a three‐dimensional network. 相似文献
18.
Xu‐Xiu Yan Li‐Ping Lu Miao‐Li Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):m221-m223
The crystal structure of the title compound, tetrachloro[μ‐1,1,4,7,7‐pentakis(1H‐benzimidazol‐2‐ylmethyl)‐1,4,7‐triazaheptane]dimanganese(II) methanol pentasolvate tetrahydrate, [Mn2Cl4(C44H43N13)]·5CH4O·4H2O, contains an asymmetric dinuclear MnII–DTPB [DTPB is 1,1,4,7,7‐pentakis(1H‐benzimidazol‐2‐ylmethyl)‐1,4,7‐triazaheptane] complex with an intra‐ligand bridging group (–NCH2CH2N–), as well as several solvate molecules (methanol and water). Both MnII cations have similar distorted octahedral coordination geometries. One MnII cation is coordinated by a Cl− anion and five N atoms from the ligand, and the other is coordinated by three Cl− anions and three N atoms of the same ligand. The Mn⋯Mn distance is 7.94 Å. A Cl⋯H—O⋯H—O⋯H—N hydrogen‐bond chain is also observed, connecting the two parts of the complex. 相似文献
19.
Hong‐Xi Li Yong Zang Mei‐Ling Cheng Jian‐Ping Lang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m74-m77
The Zn atom in dichloro[(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)methane]zinc(II), [ZnCl2(C11H16N4)], (I), is tetrahedrally coordinated by two N atoms from one bis(3,5‐dimethylpyrazolyl)methane ligand and two terminal Cl atoms. The molecule has no crystallographic symmetry. One H atom of the CH2 group of the bis(3,5‐dimethylpyrazolyl)methane ligand interacts with a Cl atom of an adjacent molecule to yield intermolecular C—H⋯Cl contacts, thereby forming a one‐dimensional zigzag chain extending along the b axis. On the other hand, in di‐μ‐chloro‐bis{chloro[(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)methane]cadmium(II)}, [Cd2Cl4(C11H16N4)2], (II), each of the two crystallographically equivalent Cd atoms is pentacoordinated by two N atoms from one bis(3,5‐dimethylpyrazolyl)methane ligand, and by one terminal and two bridging Cl− anions. The molecule has a crystallographic centre of symmetry located at the mid‐point of the Cd⋯Cd line. One H atom of the CH2 group of the bis(3,5‐dimethylpyrazolyl)methane ligand interacts with a Cl atom of an adjacent molecule to produce pairwise intermolecular C—H⋯Cl contacts, thereby affording chains of molecules running along the c axis. 相似文献
20.
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