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1.
Zun‐Ting Zhang Xin‐Li Cheng Yun He 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):m484-m487
In methylaminium 4′,7‐dihydroxyisoflavone‐3′‐sulfonate dihydrate, CH6N+·C15H9O7S−·2H2O, 11 hydrogen bonds exist between the methylaminium cations, the isoflavone‐3′‐sulfonate anions and the solvent water molecules. In hexaaquairon(II) bis(4′,7‐diethoxyisoflavone‐3′‐sulfonate) tetrahydrate, [Fe(H2O)6](C19H17O7S)2·4H2O, 12 hydrogen bonds exist between the centrosymmetric [Fe(H2O)6]2+ cation, the isoflavone‐3′‐sulfonate anions and the solvent water molecules. Additional π–π stacking interactions generate three‐dimensional supramolecular structures in both compounds. 相似文献
2.
Dubravka Matkovi‐alogovi Zora Popovi Vesna Trali‐Kulenovi Livio Racan Grace Karminski‐Zamola 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o190-o191
The title compound, C8H8N3S+·Cl−·2H2O, has been synthesized and characterized both spectroscopically and structurally. The structure consists of 1,3‐benzothiazole‐6‐carboxamidinium cations, chloride anions and water molecules, all interconnected by hydrogen bonds into a three‐dimensional network. The 1,3‐benzothiazole moiety is inclined to the 6‐amidine group by 36.71 (9)°. 相似文献
3.
Yang Peng Yi‐Zhi Li Song‐Song Bao Li‐Min Zheng 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m302-m304
In the title compound, [Co(C2H8N2)3]2[Ru2(C2H4O7P2)2Cl2]Cl·3H2O, the building unit contains two crystallographically independent dinuclear [Ru2(hedp)2Cl2]5− anions, where hedp [viz. (1‐hydroxyethylidene)diphosphonate] serves as a bis‐chelating bridging ligand, two types of [Co(en)3]3+ cations, one uncoordinated Cl− anion and five water molecules of crystallization. The [Ru2(hedp)2Cl2]5− anions are connected to one another, forming one‐dimensional chains along the a axis. The [Co(en)3]3+ cations are located between these chains and lie across inversion centres. An extensive series of hydrogen bonds lead to the formation of a three‐dimensional supramolecular network structure, with channels generated along the [100] direction. The uncoordinated water molecules and Cl− anions reside in these channels. 相似文献
4.
T. Vijay T. Narasimhamurthy H. S. Yathirajan R. S. Rathore P. Nagaraja 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):o36-o38
In the crystal structure of the title salt, C7H7Cl2N2O2+·Cl−, the chloride anions participate in extensive hydrogen bonding with the aminium cations and indirectly link the molecules through multiple N+—H⋯Cl− salt bridges. There are two independent molecules in the asymmetric unit, related by a pseudo‐inversion center. The direct intermolecular coupling is established by C—H⋯O, C—H⋯Cl and C—Cl⋯Cl− interactions. A rare three‐center (donor bifurcated) C—H⋯(O,O) hydrogen bond is observed between the methylene and nitro groups, with a side‐on intramolecular component of closed‐ring type and a head‐on intermolecular component. 相似文献
5.
Miroslav Bo
a Duan Valigura Ingrid Svoboda Hartmut Fuess Wolfgang Linert 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):838-839
The title compound, C19H14N5+·ClO4?·H2O, contains planar C19H14N5+ cations, perchlorate anions and water molecules. The two closest parallel cations (plane‐to‐plane distance of 3.41 Å), together with two neighbouring perchlorate anions and two water molecules, form an electrically neutral quasi‐dimeric unit. Two acidic H atoms of the cation, both H atoms of the water molecule, the N atoms of the imidazole rings and three of the four O atoms of the perchlorate anion are involved in the hydrogen‐bonding network within the dimeric unit. The remaining third acidic H atom of the imidazole rings and the water molecules complete a two‐dimensional network of hydrogen bonds, thus forming puckered layers of dimers. The angle between the planes of two neighbouring dimeric units in the same layer is 33.25 (3)°. 相似文献
6.
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
7.
Keri T. Horne Gregory L. Powell Lee M. Daniels 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m292-m294
The title compound, [Re2(C7H4NS2)4Cl2]·CH2Cl2, consists of dirhenium molecules with bridging N,S‐benzothiazole‐2‐thiolate ligands, axial Cl? ligands and intramolecular hydrogen bonding. These molecules adopt somewhat staggered conformations, with a long Re—Re quadruple bond distance of 2.2716 (3) Å. 相似文献
8.
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
9.
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
10.
Aarne Pajunen Ilpo Mutikainen Anssi Haikarainen Jussi Sipil Pekka Pietikinen 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e321-e322
The title compound, [Cu(C66H68N2O2P2)]Cl2·6CDCl3, consists of complex cations, chloride ions and deuterochloroform solvate molecules. The complex cation crystallizes in two different conformations. In both cases, CuII ions lie on twofold axes and the geometry around them is slightly distorted square planar. The dihedral angles between the N/Cu/N and O/Cu/O planes are 5.6 (9) and 3.9 (10)° for molecules A and B, respectively. 相似文献
11.
Marian Koman Peter Seg?a Miroslav Jamnický Tadeusz Glowiak 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):554-555
The title compound, [CuCl(C10H12N2O3)2]Cl·0.5H2O, is composed of discrete complex cations, Cl? anions and water molecules. The O atom of the water molecule lies on a twofold rotation axis. The [CuN4Cl] coordination polyhedron is intermediate between square pyramidal and trigonal bipyramidal. 相似文献
12.
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
13.
Marina S. Fonari Yurii A. Simonov Mark Botoshansky Eduard V. Ganin Arkadii A. Yavolovskii 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):o88-o90
In the title hydrated adduct, 1,4,10,13‐tetraoxa‐7,16‐diazoniacyclooctadecane bis(4‐aminobenzenesulfonate) dihydrate, C12H28N2O42+·2C6H6NO3S−·2H2O, formed between 7,16‐diaza‐18‐crown‐6 and the dihydrate of 4‐aminobenzenesulfonic acid, the macrocyclic cations lie across centres of inversion in the orthorhombic space group Pbca. The anions alone form zigzag chains, and the cations and anions together form sheets that are linked via water molecules and anions to form a three‐dimensional grid. 相似文献
14.
Artur Sikorski Karol Krzymiski Antoni Konitz Jerzy Baejowski 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):o227-o230
The title compounds, C21H14Cl2NO2+·CF3O3S−, (I), and C20H11Cl2NO2, (II), form triclinic crystals. Adjacent cations of (I) are oriented either parallel or antiparallel; in the latter case, they are related by a centre of symmetry. Together with the CF3SO3− anions, the antiparallel‐oriented cations of (I) form layers in which the molecules are linked via a network of C—H·O and π–π interactions (between the benzene rings). These layers, in turn, are linked via a network of multidirectional π–π interactions between the acridine rings, and the whole lattice is stabilized by electrostatic interactions between ions. Adjacent molecules of (II) are oriented either parallel or antiparallel; in the latter case, they are related by a centre of symmetry. Parallel‐oriented molecules are arranged in chains stabilized via C—H·Cl interactions. These chains are oriented either parallel or antiparallel and are stabilized, in the latter case, via multidirectional π–π interactions and more generally via dispersive interactions. Acridine and independent benzene moieties lie parallel in the lattices of (I) and (II), and are mutually oriented at an angle of 33.4 (2)° in (I) and 9.3 (2)° in (II). 相似文献
15.
Adailton J. Bortoluzzi Antonio C. Joussef Luiz E. Silva Ricardo A. Rebelo 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):o1-o3
The title compound, C11H2Cl5N3O, crystallizes in the monoclinic system with two molecules in the asymmetric unit. The molecules are chemically identical but have different structural parameters. In the three‐dimensional packing, the molecules are arranged in dimers that are connected by slipped π–π stacking, and these dimers are connected to one another through several C—H·O and Cl·Cl interactions. 相似文献
16.
Joo A. S. Bomfim Carlos A. L. Filgueiras R. Alan Howie Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m526-m529
The title compounds, dichloro‐ and dibromoneophylphenyltin, [SnCl2(C6H5)(C10H13)] and [SnBr2(C6H5)(C10H13)], respectively, are remarkable for the `U' shape of the molecules, whereby the two phenyl groups are brought face‐to‐face in an arrangement that permits intermolecular C—H⋯π bonds to connect the molecules into layers parallel to (100). Intermolecular Sn–halide bonds are notably absent from the structures. 相似文献
17.
Onur ahin Orhan Büyükgüngr Selami amaz Nurhan Gümrüküolu Cihan Kantar 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o643-o646
The title compounds, C10H12N4, (I), and C9H10N4, (II), have been synthesized and characterized both spectroscopically and structurally. The dihedral angles between the triazole and benzene ring planes are 26.59 (9) and 42.34 (2)°, respectively. In (I), molecules are linked principally by N—H⋯N hydrogen bonds involving the amino NH2 group and a triazole N atom, forming R44(20) and R24(10) rings which link to give a three‐dimensional network of molecules. The hydrogen bonding is supported by two different C—H⋯π interactions from the tolyl ring to either a triazole ring or a tolyl ring in neighboring molecules. In (II), intermolecular hydrogen bonds and C—H⋯π interactions produce R34(15) and R44(21) rings. 相似文献
18.
Bing‐Xin Liu Duan‐Jun Xu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):m137-m139
Crystals of the title compound, [Cr(C4H5NO4)(C6H6N4S2)(H2O)]Cl·H2O, consist of CrIII complex cations, Cl− counter‐ions and lattice water molecules. The complex cation assumes an octahedral coordination geometry, formed by a tridentate iminodiacetate dianion (IDA), a diaminobithiazole (DABT) molecule and a water molecule. The planar DABT group chelates the CrIII ion with normal Cr—N distances [2.0574 (17) and 2.0598 (17) Å], but the DABT molecule is inclined to the coordination plane by a dihedral angle of 17.23 (7)°. In the monodentate carboxylate groups of the IDA ion, the coordinated C—O bonds [1.288 (3) and 1.284 (3) Å] are much longer than the uncoordinated C—O bonds [1.222 (3) and 1.225 (3) Å]. 相似文献
19.
Mao‐Lin Hu Xiao‐Qing Cai Jiu‐Xi Chen 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m403-m405
In the polymeric title compound, [CuCl2(C6H6N4)]n, each CuII ion is five‐coordinated by four basal atoms (two N atoms from a 2,2′‐biimidazole molecule and two Cl− anions) and one axial Cl− anion, in a distorted square‐pyramidal coordination geometry. Cl− anions bridge the {Cu(C6H6N4)Cl} units into one‐dimensional linear chains, which are reinforced by π–π interactions. Adjacent linear chains are linked by N—H⋯Cl hydrogen bonds, resulting in a grid layer. The hydrogen‐bonding pattern can be described in graph‐set notation as C(9)R(9)R(14). This study extends our knowledge of the multifunctional properties of the 2,2′‐biimidazole ligand and of the coordination stereochemistry of copper(II). 相似文献
20.
Urs D. Wermuth Jonathan M. White Graham Smith 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o402-o404
The crystal structure of the proton‐transfer compound of 1,1′‐biphenyl‐4,4′‐diamine (benzidine) with 3,5‐dinitrosalicylic acid, viz. 1,1′‐biphenyl‐4,4′‐diaminium bis(4′‐amino‐1,1′‐biphenyl‐4‐aminium) tetrakis(2‐carboxy‐4,6‐dinitrophenolate) ethanol disolvate, C12H14N22+·2C12H13N2+·4C7H3N2O7−·2C2H6O, shows the presence of both diprotonated and monoprotonated benzidine cations. The diprotonated species lie across crystallographic inversion centres in the unit cell, while the monoprotonated species occupy general sites. All amine H atoms participate in hydrogen bonding with carboxyl, phenolate and nitro O‐atom acceptors of the salicylate anions, which also participate in hydrogen bonding with the disordered ethanol solvent molecules. Significant inter‐ring anion–anion and anion–monocation π–π interactions are also present, giving a three‐dimensional framework structure. 相似文献