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1.
Anwar Usman Suchada Chantrapromma Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m45-m47
The title compound, bis(2,4‐dinitrophenolato‐κ2O,O′)(1,4,7,10,13,16‐hexaoxadecane‐κ6O)barium(II), [Ba(C6H3N2O5)2(C12H24O6)], is a 1:1 complex of barium(II)–2,4‐dinitrophenolate and 1,4,7,10,13,16‐hexaoxacyclooctadecane (18‐crown‐6). Its structure is located on a crystallographic inversion centre. The temperature dependence of the crystal structure has been studied. The monoclinic β angle of the P21/n space group increases with increasing temperature. The packing structure of the complex is stabilized by intermolecular C—H?O interactions. 相似文献
2.
(Borohydrido)(18‐crown‐6)potassium and (borohydrido)(dibenzo‐18‐crown‐6)(tetrahydrofuran)potassium
Claude Villiers Michel Ephritikhine Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m275-m277
In the two compounds (borohydrido)(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)potassium, [K(BH4)(C12H24O6)], (I), and (borohydrido)(1,4,7,10,13,16‐hexaoxa‐2,3:11,12‐dibenzocyclooctadeca‐2,11‐diene‐κ6O)(tetrahydrofuran)potassium, [K(BH4)(C4H8O)(C20H24O6)], (II), the K atom is bound to the six O atoms of the crown ether and to a tridentate borohydride group, with further coordination to a tetrahydrofuran molecule in (II). The alkali metal ion environment is thus distorted hexagonal–pyramidal in (I) and bipyramidal in (II). 相似文献
3.
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
4.
Orde Q. Munro Nicole Pearson 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m407-m412
The title salt, (1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)[(isothiocyanato)triphenylborato‐κS]potassium(I), [K(C19H15BNS)(C12H24O6)] or [K(SCNBPh3)(18‐crown‐6)], where 18‐crown‐6 is 1,4,7,10,13,16‐hexaoxacyclooctadecane and [SCNBPh3]− is the (isothiocyanato)triphenylborate anion, exhibits a supramolecular structure that is best described as a helical coordination polymer or molecular screw. This unusual supramolecular structure is based on a framework in which the SCN− ion bridges the chelated K+ ion and the B atom of BPh3 in a μ2 fashion. The X‐ray crystal structure of the title salt has been determined at 100 (1) and 293 (2) K. The K+ ion exhibits axial ligation by the S atom of the [SCNBPh3]− anion, with a K—S distance of 3.2617 (17) Å (100 K). The trans‐axial ligand is an unexpected η2‐bound C=C bond of a phenyl group (meta‐ and para‐C atoms) that belongs to the BPh3 moiety of a neighboring molecule. The K—C bond distances span the range 3.099 (3)–3.310 (3) Å (100 K) and are apparently retained in CDCl3 solution (as evidenced by 13C NMR spectroscopy). By virtue of the latter interaction, the supramolecular structure is a helical coordination polymer, with the helix axis parallel to the b axis of the unit cell. IR spectroscopy and semi‐empirical molecular orbital (AM1) calculations have been used to investigate further the electronic structure of the [SCNBPh3]− ion. 相似文献
5.
Fernando Avecilla David Esteban Carlos Platas‐Iglesias Susana Fernndez‐Martínez Andres De Blas Teresa Rodríguez‐Blas 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):m450-m451
In the crystal structure of (perchlorato‐κ2O,O′))(28,31,36,39tetraoxa‐1,9,17,25,42‐pentaazapentacyclo[23.8.5.111,15.03,8.018,23]nonatriaconta‐3,5,7,9,11,13,15,16,18,20,22‐undecaene‐κ8N1,N9, N17,N42,O28,O31,O36,O39)barium(II) perchlorate, [Ba(ClO4)(C33H41N5O4)](ClO4), the BaII cation is situated in the macrobicyclic cavity, bound to only eight of the nine available donor atoms of the Schiff base macrobicyclic receptor. The pivotal N5 atom does not belong to the coordination sphere of the BaII ion, in spite of its endo conformation with the lone pair directed towards the inside of the cavity. The BaII ion completes its coordination core with two O atoms of one bidentate perchlorate group. 相似文献
6.
Zhong‐Lu You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m532-m534
The title complex, [Cd2(C13H9Cl2N2O)2(NCS)2]n, is a novel thiocyanate‐bridged polynuclear cadmium(II) compound. The CdII atom is six‐coordinated in a distorted octahedral configuration, with one O and two N atoms of one Schiff base molecule and one terminal S atom of a bridging thiocyanate ligand defining the equatorial plane, and one terminal N atom of another bridging thiocyanate ligand and one O atom of another Schiff base molecule occupying axial positions. Adjacent inversion‐related [2,4‐dichloro‐6‐(2‐pyridylmethyliminomethyl)phenolato]cadmium(II) moieties utilize bridging phenolate and thiocyanate groups to form polymeric chains running along the b axis. 相似文献
7.
Shan Gao Ji‐Wei Liu Li‐Hua Huo Hui Zhao 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m348-m350
In the title coordination polymer, [Ba(1,3‐BDOA)(H2O)2]n (where 1,3‐BDOA2− is the m‐phenylenedioxydiacetate dianion, C10H8O6), each BaII ion is ten‐coordinated by six carboxyl O atoms and two ether O atoms from different 1,3‐BDOA2− ligands, as well as by two water molecules, thus defining a dodecahedron. The BaII atoms are covalently linked by 1,3‐BDOA2− ligands in different crystallographic directions, giving rise to a three‐dimensional open framework. The crystal structure is further stabilized by hydrogen bonds and π–π stacking interactions. In previously studied polymers of this type, the 1,3‐BDOA2− ligand showed multiple bridging modes with metal ions, including bi‐, tri‐, tetra‐ and hexadentate. The title BaII complex represents a novel three‐dimensional coordination polymer constructed by octadentate bridging 1,3‐BDOA2− ligands. 相似文献
8.
Xu‐Cheng Fu Ming‐Tian Li Xiao‐Yan Wang Cheng‐Gang Wang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):m13-m15
In the crystal structure of the title complex, [Zn(C3H2O4)(C12H8N2)(H2O)2], the ZnII atom displays a distorted octahedral geometry, being coordinated by two N atoms from the 1,10‐phenanthroline ligand, two O atoms from different carboxylate groups of the chelating malonate dianion and two O atoms of cis water molecules. The complex molecules are linked to form a three‐dimensional supramolecular array by both hydrogen‐bonding interactions between coordinated water molecules and the uncoordinated carboxylate O atoms of neighboring molecules, and aromatic π–π stacking interactions between neighboring phenanthroline rings. 相似文献
9.
Necmi Dege Hasan Ibudak Elif Adyaman 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):m13-m15
In the crystal structure of the title compound [systematic name: diaquabis(6‐methyl‐2,2‐dioxo‐1,2,3‐oxathiazin‐4‐olato‐κO4)bis(3‐methylpyridine‐κN)nickel(II)], [Ni(C4H4NO4S)2(C6H7N)2(H2O)2], the NiII centre resides on a centre of symmetry and has a distorted octahedral geometry. The basal plane is formed by two carbonyl O atoms of two monodentate trans‐oriented acesulfamate ligands and two trans aqua ligands. The axial positions in the octahedron are occupied by two N atoms of two trans pyridine ligands. Molecules are stacked in columns running along the a axis. There are π–π stacking interactions between the molecules in each column, with a distance of 3.623 (2) Å between the centroids of the pyridine rings. There are also O—H⋯O interactions between the columns. 相似文献
10.
Ingo Pantenburg Ingrid Müller 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m427-m428
(1,4,7,10,13,16‐Hexaoxacyclooctadecane‐κ6O)potassium pentaiodide, [K(C12H24O6)]I5, obtained by slow evaporation of an ethanol solution of KI, 18‐crown‐6 and I2, contains [K(18‐crown‐6)]+ cations (Ci symmetry) and I5− anions (C2 symmetry), which are arranged in alternating layers parallel to (001). In contrast to the well known tendency of I5− ions to form chains and nets, the I5− units in the title compound are isolated. 相似文献
11.
Eric P. Kelson Norman S. Dean Edgar Algarín 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m108-m110
The title compound, [Ru(C6H6NO2)2(C15H11N3)(H2O)]·CH3CN·H2O, is a transfer hydrogenation catalyst supported by nitrogen‐donor ligands. This octahedral RuII complex features rare monodentate coordination of 3‐methoxy‐2‐pyridonate ligands and interligand S(6)S(6) hydrogen bonding. Comparison of the title complex with a structural analog with unsubstituted 2‐pyridonate ligands reveals subtle differences in the orientation of the ligand planes. 相似文献
12.
Chang‐Sheng Gu Xiao‐Min Hao Shu‐Xia Guan Ji‐Wei Liu 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m516-m518
In the title coordination polymer, {[Ba(C8H5Cl2O3)2(H2O)]·H2O}n, each BaII atom is nine‐coordinated by six carboxylate O atoms and one ether O atom from five symmetry‐related 2,4‐dichlorophenoxyacetate ligands, and by two O atoms from water molecules, thus defining a distorted tricapped trigonal prism. The BaII ions are bridged by bidentate water molecules and by tridentate and tetradentate 2,4‐dichlorophenoxyacetate groups, leading to a two‐dimensional layer structure. The crystal structure is further stabilized by hydrogen‐bonding interactions within each layer. 相似文献
13.
Miao Du Lin‐Hong Weng Xue‐Bing Leng Xian‐He Bu Ruo‐Hua Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1090-1091
The crystal structure of the title complex, [Cd(C20H25N2O2)Cl], reveals a hydrogen‐bonded dimer composed of neutral molecules. The CdII center is five‐coordinated by two O atoms of the pendant arms, two nitrogen donors of the 1,5‐diazacyclooctane ring and a chloride anion. The coordination geometry of the complex could be described as a distorted square pyramid. The 1,5‐diazacyclooctane backbone adopts a boat/chair configuration and the two phenol/phenolato groups have a dihedral angle of 101.3 (2)° between them. The coordinated phenolate and phenolic groups of inversion‐related molecules form strong intermolecular O—H?O hydrogen bonds. 相似文献
14.
Wei Sun Yan‐Tuan Li Zhi‐Yong Wu 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):m177-m180
The title compound, [Co(C4H4O5)(C6H6N4S2)(H2O)]·3H2O, displays a distorted octahedral coordination geometry. The tridentate oxydiacetate dianion chelates the CuII atom in the meridional mode. In the crystal packing, hydrophilic and hydrophobic layers are arranged in an alternating manner. In addition, a three‐dimensional hydrogen‐bonding framework and π–π stacking are present. 相似文献
15.
Ahmet Bulut brahim Uar Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m218-m220
The asymmetric unit of the title compound, {[Cu(C4O4)(C6H6N2O)2(H2O)2]·2H2O}n, consists of one pyridine‐4‐carboxamide (isonicotinamide or ina) ligand, one‐half of a squarate dianion, a coordinated aqua ligand and a solvent water molecule. Both the CuII and the squarate ions are located on inversion centers. The CuII ions are octahedrally surrounded by four O atoms of two water molecules and two squarate anions, and by two N atoms of the isonicotinamide ligands. The crystal structure contains chains of squarate‐1,3‐bridged CuII ions. These chains are held together by N—H⋯O and O—H⋯O intermolecular hydrogen‐bond interactions, forming an extensive three‐dimensional network. 相似文献
16.
Yan Yang Ming‐Hua Zeng Fa‐Yan Meng Hong Liang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m392-m394
In the title compound, [Cd(C9H6O5)(C10H8N2)(H2O)]n, the CdII atom is coordinated in a distorted octahedral fashion by two carboxylate groups (one in a monodentate and one in a bidentate fashion) from two 4‐carboxylatophenoxyacetate anions, two N atoms from a 2,2′‐bipyridine ligand and one aqua ligand. The structure is a helix with a long pitch of 16.441 (5) Å. A three‐dimensional supramolecular network is further constructed through π–π stacking and hydrogen‐bonding interactions between the helices. 相似文献
17.
The title complex, [BaZn(C3H2O4)2(H2O)4]n, is polymeric, due to the connectivity brought about by each malonate dianion bonding to two different ZnII cations and two different BaII cations. The BaII cations, on crystallographic twofold axes, have slightly distorted square‐antiprismic coordination, with Ba—O distances ranging from 2.795 (2) to 2.848 (2) Å. The ZnII cations, which lie on crystallographic centres of symmetry, have distorted octahedral coordination, with Zn—O bonds in the range 2.0364 (19)–2.3248 (18) Å. The water molecules participate in extensive O—H⋯O hydrogen bonding. The structure comprises alternating layers along [100], with one type containing ZnII cations and malonate dianions, while the other is primarily composed of BaII cations and water molecules. 相似文献
18.
Huan‐Yu Wang Li‐Hua Huo Shan Gao Jing‐Gui Zhao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m65-m67
In the title complex, {[Mn(C4O4)(C10H8N2)(H2O)]·H2O}n, each MnII ion has a distorted octahedral coordination formed by two N atoms of a 2,2′‐bipyridine ligand, three carboxyl O atoms of three different acetylenedicarboxylate ligands and one coordinated water molecule. The acetylenedicarboxylate ligands act in a tridentate mode connecting adjacent MnII ions and constructing a two‐dimensional structure which can be regarded as an unusual plywood‐like stacked network. 相似文献
19.
Bin Liu Jing‐Wen Chen Xiao‐Qing Chen Yi‐Zhi Li 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m42-m44
The asymmetric unit of the title compound, [Ni2(C25H31N4O3)(C2H3O2)2]PF6·0.5H2O, consists of two dinuclear nickel cations, two hexafluorophosphate anions and one water molecule of crystallization. Within each cation, the Ni atoms are bridged by two exogenous acetate groups and an endogenous cresol O atom of a phenolate‐based `end‐off' compartmental ligand that possesses two pendant chelating arms attached to the ortho positions of the phenol ring. Each Ni atom is six‐coordinate with a slightly distorted octahedral geometry. The two symmetry‐independent cations are linked into a dimeric unit through O—H⋯O hydrogen bonds. Additional O—H⋯O, C—H⋯F and C—H⋯O intermolecular interactions link all of the units in the structure into a three‐dimensional framework. 相似文献
20.
Claude Villiers Pierre Thury Michel Ephritikhine 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):m243-m245
In the title compound, (1,4,7,10,13,16‐hexaoxacyclooctadecane‐1κ6O)‐μ‐oxo‐1:2κ2O:O‐hexakis(tetrahydroborato)‐1κ3H;2κ2H;2κ2H;2κ3H;2κ3H;2κ3H‐diuranium(IV), [U2(BH4)6O(C12H24O6)], one of the U atoms (U1), located at the centre of the crown ether moiety, is bound to the six ether O atoms, and also to a tridentate tetrahydroborate group and a μ‐oxo atom in axial positions. The other U atom (U2) is bound to the same oxo group and to five tetrahydroborate moieties, three of them tridentate and the other two bidentate. The two metal centres are bridged by the μ‐oxo atom in an asymmetric fashion, thus giving the species (18‐crown‐6)(κ3‐BH4)U=(μ‐O)—U(κ3‐BH4)3(κ2‐BH4)2, in which the U1=O and U2—O bond lengths to the μ‐O atom [1.979 (5) and 2.187 (5) Å, respectively] are indicative of the presence of positive and negative partial charges on U1 and U2, respectively. 相似文献