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1.
Cara L. Nygren M. E. T. Bragg John F. C. Turner 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m94-m96
In the title compound, [Li(C4H8O)4][ZrCl2(C12H8N)3(C4H8O)], the environment of the Zr atom is pseudo‐octahedral, with the three carbazolyl ligands in a mer configuration. The counter‐ion of the zirconium complex is composed of an Li atom surrounded by four tetrahydrofuran (THF) molecules. The THF molecule attached to the Zr atom is disordered over two sites, as are two of the THF molecules in the lithium moiety. All bond distances and angles are consistent with those in complexes with similar structural entities. The Zr—N bond distances are 2.2185 (18) and 2.167 (3) Å. 相似文献
2.
M. Ramos Silva A. Matos Beja J. A. Paixo J. Martin‐Gil 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):m380-m382
The title compound, [Cu4Cl8(C4H9NO2)4], crystallizes in the centrosymmetric space group P21/c with a unit cell containing two tetranuclear copper(II) complexes sited on crystallographic inversion centres. The coordination geometry around the central Cu atoms is square pyramidal, with four O atoms in the basal plane and a Cl atom in the apical position. The lateral CuCl4 groups are flattened tetrahedral. The bridging dimethylglycine molecules are present in the dipolar zwitterionic form. The tetranuclear copper complexes exist as isolated entities since only intramolecular hydrogen bonds are found. 相似文献
3.
The title complex, [Ag4(C7H5O3)2(C8H6N2)4(C7H6O3)4], lies about an inversion centre and has a unique tetranuclear structure consisting of four AgI atoms bridged by four N atoms from two 1,8‐naphthyridine (napy) ligands to form an N:N′‐bridge and four O atoms from two salicylate (SA) ligands to form an O:O′‐bridge. The Ag atoms have distorted octahedral coordination geometry. The centrosymmetric Ag4 ring has Ag—Ag separations of 2.772 (2) and 3.127 (2) Å, and Ag—Ag—Ag angles of 107.70 (4) and 72.30 (4)°. All SA hydroxy groups take part in intramolecular O—H⋯O hydrogen bonding. In the crystal packing, the napy rings are oriented parallel and overlap one another. These π–π interactions, together with weak intermolecular C—H⋯O contacts, stabilize the crystal structure. 相似文献
4.
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
5.
Cornelis Lensink Graeme J. Gainsford Neville I. Baxter 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):366-367
The title compound, [Ti(CF3O3S)2(C14H15NO2S)(C4H8O)], contains a unique ligand system in which the Ti ion is bound to the N and O atoms of a 2‐p‐toluenesulfonamide ligand, which is linked by an ethyl group to a coordinated cyclopentadiene moiety. The distorted octahedral geometry about the Ti ion is completed by two trifluoromethanesulfonate ligands and a tetrahydrofuran molecule. Comparison with related compounds shows that both the Ti—N and Ti—O bonds of the sulfonamide, although longer than normal values, indicate significant bonding interactions. 相似文献
6.
Le‐Qing Fan Ji‐Huai Wu 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m548-m549
The title compound, [ZnI2(bipy)]n (bipy is 4,4′‐bipyridine, C10H8N2), has been prepared by the hydrothermal reaction of ZnI2 and bipy at 433 K. Each Zn atom is coordinated by two N atoms from two different bipy ligands and by two I atoms in a distorted tetrahedral geometry, with Zn—N distances ranging from 2.068 (7) to 2.101 (8) Å and Zn—I distances ranging from 2.5471 (13) to 2.5673 (13) Å. The molecular structure features a zigzag polymeric chain. Face‐to‐face π–π stacking interactions between adjacent bipy ligands stabilize the structure. 相似文献
7.
Claude Villiers Michel Ephritikhine Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):m64-m66
In the title compound, [SmTi2Cl7O(C4H8O)6], the metal ions are linked by a central μ3‐oxo ion and by three μ2‐chloro ions, giving a planar moiety containing a binary crystallographic axis. The coordination spheres are completed by terminal chloro ligands and tetrahydrofuran molecules, with resulting pentagonal bipyramidal and octahedral environments for the Sm and Ti atoms, respectively. 相似文献
8.
Bernhard Walfort Rushdi I. Yousef Tobias Rüffer Dirk Steinborn 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m482-m483
The crystal structure of the title compound, [Mg4Br2(CH3O)6(C4D8O)6], consists of discrete molecules with imposed symmetry Ci. The tetranuclear compound exhibits two crystallographically independent Mg atoms having distorted octahedral and trigonal–bipyramidal coordination spheres. The Mg atoms are bridged by two μ3‐OMe and four μ2‐OMe ligands, and their coordination is completed by two terminal Br and six tetrahydrofuran ligands. 相似文献
9.
Jacek Zaleski Mieczysaw Gabryszewski Bartosz Zarychta 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):m151-m154
The copper(II) environments for tetrakis(1‐ethyl‐1,2,4‐triazole)dinitratocopper(II), [Cu(NO3)2(C4H7N3)4], and tetrakis(1‐propyl‐1,2,4‐triazole)dinitratocopper(II), [Cu(NO3)2(C5H9N3)4], are distorted square bipyramidal. Both structures are centrosymmetric, with the copper(II) ions located at inversion centers coordinated by four N atoms of four triazole molecules and by two O atoms of two nitrate ions in an elongated octahedral geometry. This elongation is a result of the Jahn–Teller effect. The largest distortion is that of the N—Cu—O angles, which differ from 90° by 5.68 (10)° in the ethyl and 5.59 (8)° in the propyl derivative. 相似文献
10.
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
11.
Li‐Qin Xiong Chuan‐Min Qi Hui Yu Sheng‐Wen Liang 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m117-m119
In the title complex, [Mn(C8H4NO6)2(H2O)4]·2H2O, cyclic water tetramers forming one‐dimensional metal–water chains have been observed. The water clusters are trapped by the co‐operative association of coordination interactions and hydrogen bonds. The MnII ion resides on a center of symmetry and is in an octahedral coordination environment comprising two O atoms from two 5‐carboxy‐2‐nitrobenzoate ligands and four O atoms from water molecules. 相似文献
12.
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
13.
brahim Uar Ahmet Bulut Okan Zafer Yeilel Halis
lmez Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m563-m566
The title mononuclear complex, [Ni(C5H2N2O4)(C3H4N2)2(H2O)2] or [Ni(HOr)(im)2(H2O)2] (im is imidazole and H3Or is orotic acid, or 2,6‐dioxo‐1,2,3,6‐tetrahydropyrimidine‐4‐carboxylic acid), has been synthesized and the crystal structure determination is reported. The NiII ion in the complex has a distorted octahedral coordination geometry comprised of one deprotonated pyrimidine N atom and the adjacent carboxylate O atom of the orotate ligand, two tertiary imidazole N atoms and two aqua ligands. An extensive three‐dimensional network of OW—H⋯O and N—H⋯O hydrogen bonds, and π–π and π–ring interactions are responsible for crystal stabilization. 相似文献
14.
Qi‐Wei Zhang Yi‐Hang Wen Yun‐Long Feng 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):m255-m257
The title compound, [Zn2(C5H6O4)2(C13H14N2)]n or [Zn2(glu)2(bpp)]n, is a novel zinc polymer based on mixed flexible glutarate (glu) and 1,3‐di‐4‐pyridylpropane (bpp) ligands. The ZnII center has a distorted tetrahedral geometry and the central atom of the bpp ligand is located at a special site with a C2 axis passing through it. A layer is formed by Zn–glu bonding. Such layers are pillared by bpp ligands, forming a three‐dimensional framework with large channels. The inverted interpenetration of two three‐dimensional frameworks completes the molecular structure. 相似文献
15.
Carsten Puke Kai Schmengler Kristin Kirschbaum Olaf Conrad Dean M. Giolando 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e542-e542
In the title compound, tetrakis(tetrahydrofuran)lithium(I) tri‐μ‐phenylthiolato‐bis[tris(phenylthiolato)titanate(IV)], [Li(C4H8O)4][Ti2(C6H5S)9], (I), the central structural motif of the [Ti2(SC6H5)9]? anion features a face‐sharing bi‐octahedron. The charge is balanced with a [Li(C4H8O)4]+ cation. The asymmetric unit contains Ti, Li and a heavily disordered tetrahydrofuran molecule on a threefold axis, and two terminal and a bridging thiophenolate moiety and a slightly disordered tetrahydrofuran molecule on general positions. 相似文献
16.
Huanrong Li Yingming Yao Qi Shen Linhong Weng 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):887-888
The title complex, [La2(C6H7)4(C6H5S)2(C4H8O)2]·2C4H8O, is a centrosymmetric dimer bridged through the S atoms of the benzenethiolate ligands. The bridging La2S2 unit is completely planar, while the geometry around the nine‐coordinate La atom is that of a distorted trigonal bipyramid. The La—S—La and S—La—S angles are 117.51 (4) and 62.5 (1)°, respectively, and the average La—S bond length is 2.9759 Å. The crystals contain two tetrahydrofuran solvate molecules for every complex molecule. 相似文献
17.
Ludmila S. Ivashkevich Alexander S. Lyakhov Pavel N. Gaponik Michail M. Degtyarik Oleg A. Ivashkevich Sergey I. Tiutiunnikov Vadim V. Efimov 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m607-m609
The crystal structure of the polymeric title complex, [CuCl2(C3H6N4)]n, has been solved from laboratory X‐ray powder diffraction data collected at room temperature. The structural model obtained was refined with the Rietveld method using geometric soft restraints. There are two Cu atoms, two Cl atoms and one 1,5‐dimethyltetrazole ligand in the asymmetric unit. Both Cu atoms lie on inversion centres and adopt essentially elongated octahedral coordination. Within the octahedra, the elongated axial positions are occupied by Cl atoms, while two Cl and two N atoms (N3 and N4 of the tetrazole ring) are in equatorial sites. Each Cl atom forms an asymmetric bridge between neighbouring Cu atoms, which are also bridged via the N3—N4 bond of the tetrazole ring. These bridges result in the formation of polymeric chains, running along the a axis, with weak C—H⋯Cl hydrogen bonds crosslinking the chains. 相似文献
18.
Ahmet Bulut Hasan budak Gzde Sezer Canan Kazak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m228-m230
In the crystal structure of the title compound, bis(2‐aminopyrimidine‐κN1)bis[6‐methyl‐1,2,3‐oxathiazin‐4(3H)‐one 2,2‐dioxide(1−)‐κ2N3,O4]copper(II), [Cu(C4H4NO4S)2(C4H5N3)2], the first mixed‐ligand complex of acesulfame, the CuII centre resides on a centre of symmetry and has an octahedral geometry that is distorted both by the presence of four‐membered chelate rings and by the Jahn–Teller effect. The equatorial plane is formed by the N atoms of two aminopyrimidine (ampym) ligands and by the weakly basic carbonyl O atoms of the acesulfamate ligands, while the more basic deprotonated N atoms of these ligands are in the elongated axial positions with a strong misdirected valence. The crystal is stabilized by pyrimidine ring stacking and by intermolecular hydrogen bonding involving the NH2 moiety of the ampym ligand and the carbonyl O atom of the acesulfamate moiety. 相似文献
19.
Hümeyra Bat Hanife Sarao
lu Nezihe alsÛkan Serkan Soylu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m342-m343
The title complex, [Co(C2H3O2)2(C7H6N2S)2], contains a Co centre with a slightly distorted tetrahedral coordination geometry, involving two acetate ligands and two N atoms from the thiazole moiety [Co—O = 2.0025 (14) and 1.9953 (16) Å, and Co—N = 2.0524 (18) and 2.0568 (18) Å]. The interplanar angle between the two benzothiazole moieties is 77.86 (3)°. The amine groups, acting as donors, participate in intra‐ and intermolecular N—H⋯O hydrogen bonds, with N⋯O distances in the range 2.806 (2)–2.857 (2) Å. 相似文献
20.
Yi‐Cheng Shen Zhao‐Ji Li Ye‐Yan Qin Yuan‐Gen Yao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):m135-m136
The title compound, [Zn(SO4)(C12H10N2)]n, features a layered structure based on [Zn(SO4)]n spirals linked by 1,2‐di‐4‐pyridylethylene (bpe) ligands, with the tetrahedral Zn and S atoms lying on twofold axes. The bpe ligands are centrosymmetric. The layers are linked by weak C—H⋯O interactions. 相似文献