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1.
Tadeusz Lis Petra Stachov Duan Valigura Jan Moncol 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m375-m377
The title compound {systematic name: tetrakis(μ‐3,5‐dinitrobenzoato‐κ2O:O′)bis[(3,7‐dihydro‐1,3,7‐trimethyl‐1H‐purine‐2,6‐dione‐κO2)copper(II)]}, [Cu2(C7H3N2O6)4(C8H10N4O2)2], consists of paddle‐wheel dimeric tetrakis(μ‐3,5‐dinitrobenzoato‐κ2O:O′)dicopper(II) units with O‐coordinated caffeine molecules in both apical positions. The entire dimeric molecule lies on a tetragonal inversion axis, and thus one nitrobenzoate anion with one Cu atom in a special position belong to the independent part of the molecule. The caffeine ligand bonded to the Cu atom is disordered on a local twofold non‐crystallographic axis coincident with the axis. A π–π stacking interaction is observed between the caffeine rings and adjacent symmetry‐related benzene rings of the 3,5‐dinitrobenzoate anions. 相似文献
2.
Bao‐Zhong Zhao Xiang‐Rong Hao Zhan‐Gang Han Qiang Fu Ya‐Guang Chen 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m48-m50
A novel copper(II) coordination polymer, poly[[[aquacopper(II)]‐μ3‐2,2′‐bipyridyl‐3,3′‐dicarboxylato‐κ4N,N′:O:O′] dihydrate], {[Cu(C12H6N2O4)(H2O)]·2H2O}n, was obtained by the reaction of CuCl2·2H2O and 2,2′‐bipyridyl‐3,3′‐dicarboxylic acid (H2L) in water. In the molecule, each CuII atom is five‐coordinated and lies at the centre of a square‐pyramidal basal plane, bridged by three L ligands to form a two‐dimensional (4,4)‐network. Each L moiety acts as a bridging tetradentate ligand, coordinating to three CuII atoms through its two aromatic N atoms and two O atoms of the two carboxyl groups. The two‐dimensional square‐grid sheets superimpose in an off‐set fashion through the inorganic water layer. 相似文献
3.
Ying‐Quan Zou Xia Li Yan Li Huai‐Ming Hu 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1048-1050
The title compound, tetrakis(μ‐2,3‐dimethoxybenzoato)‐κ4O:O′;κ6O,O′:O′‐bis[(2,2′‐bipyridine‐N,N′)(2,3‐dimethoxybenzoato‐O,O′)lanthanum(III)], [La2(2,3‐DMOBA)6(2,2′‐bpy)2], where 2,3‐DMOBA is 2,3‐dimethoxybenzoate (C9H9O4) and 2,2′‐bpy is 2,2′‐bipyridine (C10H8N2), is a dimer with a centre of inversion between the La atoms bridged by four carboxylate ligands. The central La atom is ennea‐coordinated and has a distorted monocapped square‐antiprism geometry. 相似文献
4.
Ivica ?ilovi Dubravka Matkovi‐alogovi Zora Popovi Vibor Roje 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m351-m352
In the crystal structure of the title compound, [Zn(C18H14NO2)2]·C2H6O, the Zn atom displays a highly distorted octahedral coordination involving the O and N atoms of two molecules of the Schiff base 1‐[N‐(2‐methoxyphenyl)iminomethyl]naphthalen‐2(1H)‐one, which acts as an O,N,O′‐tridentate ligand. The ethanol molecule is bound to the methoxy group of one ligand molecule via a hydrogen bond. 相似文献
5.
Mamiko Odoko Ai Kusano Naomi Oya Nobuo Okabe 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m215-m216
The crystal structure of catena‐poly[[(6‐carboxypyridine‐2‐carboxylato‐κ3O,N,O′)lithium(I)]‐μ‐aqua‐κ2O:O], [Li(C7H4NO4)(H2O)]n, contains the Li+ ion coordinated to two O atoms and the N atom of the 6‐carboxypyridine‐2‐carboxylate ligand, and to two water O atoms, forming a pentavalent coordination geometry. The molecule resides on a mirror plane which contains the Li and N atoms, the para‐CH unit, and the O atom of the coordinated water molecule. The O atom of the water molecule is coordinated to two Li atoms, forming an infinite polymeric chain. 相似文献
6.
M. Enriqueta Díaz de Vivar Sergio Baggio Juan Carlos Muoz Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m30-m33
Two different zinc sulfite compounds have been prepared through the decomposition of pyrosulfite–dithionite ions in aqueous solution, viz. a dimeric complex, di‐μ‐sulfito‐κ3O,O′:O′′;κ3O:O′,O′′‐bis[(4,4′‐dimethyl‐2,2′‐bipyridine‐κ2N,N′)zinc(II)] dihydrate, [Zn2(SO3)2(C12H12N2)2]·2H2O, (I), which was solved and refined from a twinned sample, and an extended polymer, poly[[aqua(1,10‐phenanthroline‐κ2N,N′)zinc(II)]‐μ3‐sulfito‐κ2O:O′:O′′‐zinc(II)‐μ3‐sulfito‐κ3O:O:O′], [Zn2(SO3)2(C12H10N2)(H2O)]n, (II). In (I), the dinuclear ZnII complex has a center of symmetry. The cation is five‐coordinate in a square‐pyramidal arrangement, the anion fulfilling a bridging chelating role. Compound (II) comprises two different zinc units, one being five‐coordinate (square pyramidal) and the other four‐coordinate (trigonal pyramidal), and two independent sulfite groups with different binding modes to the cationic centers. 相似文献
7.
Dana M. Hatch William F. Wacholtz Joel T. Mague 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):m452-m453
The title compound, bis(μ‐1,2‐benzenethiolato)‐1:2κ3S,S′:S′;2:1κ3S,S′:S′‐bis[(2,2′‐bipyridine‐κ2N,N′)zinc(II)], [Zn2(μ‐C6H4S2)2(C10H8N2)2], crystallizes with the dinuclear molecule located on a center of symmetry. The coordination geometry about the Zn atom is a modestly distorted trigonal bipyramid, with the axial ligating atoms at an angle of 170.81 (4)° and the angles in the equatorial plane in the range 112.94 (4)–129.95 (4)°. Weak π‐stacking interactions between bipyridine ligands on adjacent molecules [interplanar spacing = 3.315 (3) Å] and a possible weak intermolecular C—H⋯S hydrogen bond (H⋯S = 2.84 Å) are seen in the crystal. 相似文献
8.
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
9.
Hui‐Fen Qian Wei Huang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m349-m351
The title compound, [Cu(ClO4)(C5H6N2)2(C12H12N2)]ClO4, was prepared by in situ partial ligand substitution between 3‐aminopyridine and 4,4′‐dimethyl‐2,2′‐bipyridine at room temperature. The central copper(II) ion is five‐coordinated by one bidentate 4,4′‐dimethyl‐2,2′‐bipyridine molecule, two monodentate pyridine‐coordinated 3‐aminopyridine molecules and one apical O atom from the perchlorate counter‐ion. Intermolecular N—H⋯O and C—H⋯O hydrogen‐bonding interactions form a hydrogen‐bond‐sustained network. 相似文献
10.
Ayhan Elmali Ebru Kavlakoglu YalcÛn Elerman Ingrid Svoboda 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1097-1099
The title compound, aquachloro{4,4′‐dibromo‐2,2′‐[o‐phenylenebis(nitrilomethylidyne)]diphenolato‐O,N,N′,O′}iron(III)–chloro{4,4′‐dibromo‐2,2′‐[o‐phenylenebis(nitrilomethyli‐dyne)]diphenolato‐O,N,N′,O′}iron(III)–dimethylformamide (1/1/1), [FeCl(C20H12Br2N2O2)][FeCl(C20H12Br2N2O2)(H2O)]·C3H7NO, contains one independent five‐coordinate [FeCl(C20H12Br2N2O2)] monomer, one six‐coordinate [FeCl(C20H12Br2N2O2)(H2O)] monomer and a non‐coordinating dimethylformamide solvent molecule in the asymmetric unit. In the five‐coordinate monomer, the Fe atom shows distorted square‐pyramidal geometry, with the N and O atoms of the ligand at the base and the Cl atom at the apex of the pyramid. In the six‐coordinate monomer, the Fe atom is in a distorted octahedral geometry and coordinated by the donor atoms of the tetrafunctional ligand in the horizontal plane, and the coordination sphere is completed by the O atom of the water molecule and the Cl atom at the axial positions. The title compound contains intermolecular O—H?O hydrogen bonds. Apart from these hydrogen bonds, there are also intermolecular C—H?Cl and C—H?O contacts. 相似文献
11.
Ana María Atria María Angeles Mora María Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(11):m490-m493
The polymeric title compounds, namely catena‐poly[[[di‐μ‐but‐2‐enoato‐κ3O:O,O′;κ3O,O′:O′‐bis[diaquadibut‐2‐enoato‐κO;κ2O,O′‐neodymium(III)]]‐μ‐4,4′‐bipyridyl N,N′‐dioxide‐κ2O:O′] 4,4′‐bipyridyl N,N′‐dioxide solvate] and the erbium(III) and yttrium(III) analogues, {[Ln2(C4H5O2)6(C10H8N2O2)(H2O)4]·C10H8N2O2}n (Ln = Nd, Er and Y), form from [Ln2(bt)6(H2O)4] dimers (bt is but‐2‐enoate) bridged by 4,4′‐bipyridyl dioxide (bno) spacers into sets of parallel chains; these linear arrays are interconnected by aqua‐mediated hydrogen bonds into broad two‐dimensional structures, which in turn interact with each other though the hydrogen‐bonded bridged bno solvent units. Both independent bno units in the structures are bisected by symmetry centres. 相似文献
12.
Miguel Harvey Sergio Baggio Silvia Russi Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):m171-m174
The structures of two new sulfate complexes are reported, namely di‐μ‐sulfato‐κ3O,O′:O′′‐bis{aqua[2,4,6‐tris(2‐pyridyl)‐1,3,5‐triazine‐κ3N1,N2,N6]cadmium(II)} tetrahydrate, [Cd2(SO4)2(C16H12N6)2(H2O)2]·4H2O, and di‐μ‐sulfato‐κ2O:O′‐bis[(2,2′:6′,2′′‐terpyridine‐κ3N1,N1′,N1′′)zinc(II)] dihydrate, [Cd2(SO4)2(C15H11N3)2]·2H2O, the former being the first report of a Cd(tpt) complex [tpt is 2,4,6‐tris(2‐pyridyl)‐1,3,5‐triazine]. Both compounds crystallize in the space group P and form centrosymmetric dimeric structures. In the cadmium complex, the metal center is heptacoordinated in the form of a pentagonal bipyramid, while in the zinc complex, the metal ion is in a fivefold environment, the coordination geometry being intermediate between square pyramidal and trigonal bipyramidal. Packing of the dimers leads to the formation of planar structures strongly linked by hydrogen bonding. 相似文献
13.
Guohong Zhang Yongge Wei Ping Wang Hongyou Guo 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m605-m607
The title compound, [Co(C12H6N2O4)(H2O)2]n, has been hydrothermally synthesized and structurally characterized. It consists of polymeric chains of [Co{μ‐(2,2′‐bipyridyl‐3,3′‐dicarboxylato‐κ4N,N′:O,O′)}(H2O)2] units, in which each CoII cation is octahedrally coordinated by two chelating pyridyl N atoms, two chelating carboxyl O atoms from different carboxylate groups of another bipyridyl ligand, and two water molecules as terminal ligands. A crystallographic twofold axis parallel to the chain axis, passes through the Co atom. 相似文献
14.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):m531-m533
In the title compound [systematic name: triaqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)(2‐nitrophenolato‐κO)barium(II)–aqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)‐ bis(2‐nitrophenolato‐κ2O,O′)barium(II)–2‐nitrophenolate (1/1/1)], [Ba(C12H24O6)(C6H4NO3)(H2O)3][Ba(C12H24O6)(C6H4NO3)2(H2O)](C6H4NO3), the two BaII atoms encapsulated by the 18‐crown‐6 rings have different coordinations. Although both BaII atoms are coordinated to the six O atoms of the crowns, in the neutral moiety, the BaII atom is coordinated to one terminal O atom from a water molecule, two phenolate O atoms and two nitro‐group O atoms, while in the cationic moiety, the BaII atom is coordinated to three terminal O atoms from water molecules and one phenolate O atom. Both the crowns are eclipsed and translated along the b direction. In the asymmetric unit, the three components are interconnected by four O—H?O interactions. The packing is stabilized by two intermolecular C—H?O interactions and by one O—H?O interaction. 相似文献
15.
Shan Gao Ji‐Wei Liu Li‐Hua Huo Hui Zhao Jing‐Gui Zhao 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m25-m29
Two new two‐dimensional coordination polymers, poly[[[aqua(2,2′‐bipyridine‐κ2N,N′)manganese(II)]‐μ3‐p‐phenylenebis(oxyacetato)‐κ3O:O′:O′′] dihydrate], {[Mn(C10H8O6)(C10H8N2)(H2O)]·2H2O}n, (I), and poly[[di‐μ‐aqua‐bis[aquasodium(I)]]‐μ4‐p‐phenylenebis(oxyacetato)‐κO:O′,O′′:O′′′,O′′′′:O′′′′′], [Na2(C10H8O6)(H2O)4]n, (II), have been synthesized and characterized by X‐ray single‐crystal diffraction. In (I), there are two 1,4‐BDOA2− [p‐phenylenebis(oxyacetate) or, more commonly, benzene‐1,4‐dioxyacetate] ligands, each lying about inversion centres, while in (II), there is one such ligand and it also has crystallographically imposed inversion symmetry. In (I), each MnII atom displays an octahedral MnN2O4 configuration, defined by three carboxyl O atoms of different 1,4‐BDOA2− groups, two N atoms of one 2,2′‐bipyridine ligand and one water molecule. In (II), each NaI atom is octahedrally coordinated by one ether O atom, two carboxyl O atoms of different 1,4‐BDOA2− ligands and three water molecules. The metal ions in complexes (I) and (II) are bridged by 1,4‐BDOA2− groups into two‐dimensional layer structures. Furthermore, three‐dimensional supramolecular networks are constructed via hydrogen bonds in (I) and (II), and by additional π–π stacking interactions in (I). 相似文献
16.
K. V. P. Pavan Kumar K. C. Kumara Swamy 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o668-o670
The molecular structures of the complexes imidazolium 6,6′‐di‐tert‐butyl‐4,4′‐dimethyl‐2,2′‐thiodiphenyl phosphate, C3H5N2+·C22H28O4PS−, (I), and imidazolium 6,6′‐di‐tert‐butyl‐4,4′‐dimethyl‐2,2′‐thiodiphenyl phosphate diisopropyl hydrazodicarboxylate hemisolvate, C3H5N2+·C22H28O4PS−·0.5C8H16N2O4, (II), have been determined. While (I) forms the expected hydrogen‐bonded chain utilizing the two imidazole N‐bound H atoms, in (II), the substituted hydrazine solvent molecule inserts itself between the chains. Compound (I) exhibits a strong N—H⋯O hydrogen bond, with an N⋯O distance of 2.603 (2) Å. The hydrazine solvent molecule in (II) lies about a twofold axis and the N‐bound H atoms are involved in bifurcated hydrogen bonds with phosphate O atoms. A C‐bound H atom of the imidazolium cation is involved in a C—H⋯O interaction with a carbonyl O atom of the hydrazine solvent molecule. 相似文献
17.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):m534-m536
The molecule of the title compound {systematic name: di‐μ‐sulfido‐bis[diaqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)barium(II)] bis[1,2‐benzisothiazol‐3(2H)‐one 1,1‐dioxide]}, [Ba2S2(C12H24O6)2(H2O)4](C7H5NO3S)2, lies on an inversion centre. The BaII atom encapsulated by the 18‐crown‐6 ring is coordinated by the six O atoms of the crown, two water O atoms and two bridging S atoms. The four‐membered ring composed of the BaII atoms and the bridging S atoms makes a dihedral angle of 67.1 (1)° with the crown‐ether ring. The aromatic ring system of the saccharin moiety is essentially planar. The packing is built up from layers of the molecules and is stabilized by three intermolecular O—H?O hydrogen bonds. 相似文献
18.
Dmytro S. Nesterov Volodymyr N. Kokozay Brian W. Skelton 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):m246-m248
The crystal structure of the title compound, triacetato‐1κO;3κ4O,O′‐(2,2′‐iminodiethanol)‐1κ3O,N,O′‐bis(μ‐2,2′‐iminodiethanolato)‐1κ2O:2κ6O,N,O′:3κ2O′‐cobalt(III)copper(II)zinc(II), [CoCuZn(C4H9NO2)2(C2H3O2)3(C4H11NO2)], shows a molecule with a triangular three‐metal core. The metal sites were refined with full occupancies, but the possibility that the Zn and Cu positions are actually mixed Cu/Zn sites cannot be excluded. The intermetallic Cu⋯Co and Co⋯Zn distances are 2.924 (3) and 2.906 (3) Å, respectively. The neutral molecules are held together by N—H⋯O hydrogen bonds involving amine groups from the 2,2′‐iminodiethanol ligands and acetate groups to build two‐dimensional layers. 相似文献
19.
Vijay Mahadevan Iyer Helen Stoeckli‐Evans Anthony D'Alo Luisa De Cola Peter Belser 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):o259-o261
Structure analyses of 4,4′‐bis(4‐hydroxybutyl)‐2,2′‐bipyridine, C18H24N2O2, (I), and 4,4′‐bis(4‐bromobutyl)‐2,2′‐bipyridine, C18H22Br2N2, (II), reveal intermolecular hydrogen bonding in both compounds. For (I), O—H·N intermolecular hydrogen bonding leads to the formation of an infinite two‐dimensional polymer, and π stacking interactions are also observed. For (II), C—H·N intermolecular hydrogen bonding leads to the formation of a zigzag polymer. The two compounds crystallize in different crystal systems, but both molecules possess Ci symmetry, with one half molecule in the asymmetric unit. 相似文献
20.
Pierre Thury Martine Nierlich Bernardo Masci 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):m84-m86
Uranyl nitrate hexahydrate reacts with bis[2‐(2‐hydroxyphenoxy)ethoxy]ethane (C18H22O6), denoted LH2 hereafter, in the presence of triethylamine to give triethylammonium aqua[2,2′‐(3,6‐dioxaoctane‐1,8‐diyldioxy)diphenolato‐κ2O,O′](nitrato‐κ2O,O′)dioxouranium(VI), (Et3NH)[UO2(H2O)L(NO3)], which possesses a symmetry plane. The uranyl ion is coordinated to the two phenoxide O atoms, a nitrate ion and a water molecule (first sphere); the water molecule is itself held in the crown ether chain by hydrogen‐bonding interactions, thus ensuring second‐sphere coordination by the ligand L. 相似文献