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1.
Graeme J. Gainsford Tim Kemmitt 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):m136-m138
In the title compound, [Na4(C8H16BO4)4(C4H10O2)]n, there are two coordination types for the four independent Na+ cations: two Na+ cations bond to six diolate O atoms [Na—O = 2.305 (2)–2.609 (2) Å], while the other two are five‐coordinate via one 1,4‐butanediol [2.289 (2) and 2.349 (3) Å] and four diolate O atoms [2.295 (2)–2.408 (2) Å]. Corresponding to this, there are three‐ and four‐coordinate diolate O atoms, the latter bridging Na atoms. The 1,4‐butanediol molecules lie on inversion centres. The boron stereochemistry shows minor local perturbations from its usual tetrahedral state [B—O = 1.457 (4)–1.503 (4) Å]. The resulting polymer packs as sheets parallel to the (10) plane crosslinked by the butanediol molecules. The structure was solved using data from a multiple crystal. 相似文献
2.
Graeme J. Gainsford Tim Kemmitt 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):m206-m208
In the polymeric title compound, [Na2(C4H12BO4)2(CH4O)2]n, the two independent sodium cations are bound by five O atoms. All the O atoms of one tetramethoxyborate anion bind cations, forming a tetrameric cluster around a tetragonal inversion centre [Na—O = 2.2777 (18)–2.3907 (16) Å]. Two methanol O atoms bridge the two Na atoms [Na—O = 2.3590 (15)–2.4088 (18) Å] and provide the hydrogen‐bonding H atoms. The second tetramethoxyborate anion provides two O atoms to one Na atom [mean Na—O = 2.31 (2) Å] and two O atoms as donors for crosslinking hydrogen bonds to adjacent tetramers, which complete the three‐dimensional packing. The crystal was a treated as a racemic twin. 相似文献
3.
Liang Shen Zhi Min Jing 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m591-m592
The title complex, {[Ni(C2H8N2)3][Na(NCS)3(H2O)]}n, consists of discrete [Ni(en)3]2+ dications (en is ethylenediamine) and polymeric [(H2O)0.5Na(NCS)3(H2O)0.5]n2n? anions. The compound crystallizes in space group Pc1. The NiII atom lies on a threefold axis and has a distorted octahedral coordination geometry. The Na+ cation also lies on a site with imposed crystallographic threefold symmetry and is coordinated by the thiocyanate N atoms (the thiocyanates are in general positions), by one water molecule with crystallographically imposed 32 symmetry and by a second water molecule with crystallographically imposed symmetry. The unique Na atom thus has trigonal–bipyramidal coordination. The O atoms of the water molecules bridge the Na+ cations to form one‐dimensional polymeric chains in the crystal structure. The [Ni(en)3]2+ dications are distributed around and between the chains and are linked to them via N—H?S hydrogen bonds. 相似文献
4.
Raj Pal Sharma Ritu Bala Rajni Sharma Andrew D. Bond 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m356-m358
In sodium hexaamminecobalt(III) tetrakis(4‐fluorobenzoate) monohydrate, Na[Co(NH3)6](C7H4FO2)4·H2O, determined at 180 K, [Co(NH3)6]3+ cations lie on centres of inversion and form layers in which their C4 axes lie perpendicular to the layer planes. 4‐Fluorobenzoate anions lie on twofold axes and general positions and adopt near‐planar geometries. Na+ cations and water molecules lie on twofold axes, forming [NaO5] square pyramids that lie between the [Co(NH3)6]3+ cations. The second‐sphere interactions between [Co(NH3)6]3+ cations and 4‐fluorobenzoate anions comprise edge‐to‐face and vertex‐to‐face arrangements. The structure is closely comparable with that of the benzoic acid salt, demonstrating that fluorination of the anion in the para position has no significant influence on the second‐sphere interactions and minimal influence on the gross crystal structure. 相似文献
5.
Fangfang Jian Ying Wang Lude Lu Xujie Yang Xin Wang Suchada Chantrapromma Hoong‐Kun Fun Ibrahim Abdul Razak 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):714-716
The crystal structures of tris(2‐methylquinolin‐8‐olato‐N,O)iron(III), [Fe(C10H8NO)3], (I), and aquabis(2‐methylquinolin‐8‐olato‐N,O)copper(II), [Cu(C10H8NO)2(H2O)], (II), have been determined. Compound (I) has a distorted octahedral configuration, in which the central Fe atom is coordinated by three N atoms and three O atoms from three 2‐methylquinolin‐8‐olate ligands. The three Fe—O bond distances are in the range 1.934 (2)–1.947 (2) Å, while the three Fe—N bond distances range from 2.204 (2) to 2.405 (2) Å. In compound (II), the central CuII atom and H2O group lie on the crystallographic twofold axis and the coordination geometry of the CuII atom is close to trigonal bipyramidal, with the three O atoms in the basal plane and the two N atoms in apical positions. The Cu—N bond length is 2.018 (5) Å. The Cu—O bond length in the basal positions is 1.991 (4) Å, while the Cu—O bond length in the apical position is 2.273 (6) Å. There is an intermolecular OW—H?O hydrogen bond which links the molecules into a linear chain along the b axis. 相似文献
6.
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
7.
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
8.
Na Liu Ai‐Ling Cheng En‐Qing Gao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):o93-o95
In 3,4‐di‐2‐pyridyl‐1,2,5‐oxadiazole (dpo), C12H8N4O, each molecule resides on a twofold axis and interacts with eight neighbours via four C—H⋯N and four C—H⋯O interactions to generate a three‐dimensional hydrogen‐bonded architecture. In the perchlorate analogue, 2‐[3‐(2‐pyridyl)‐1,2,5‐oxadiazol‐4‐yl]pyridinium perchlorate, C12H9N4O+·ClO4− or [Hdpo]ClO4, the [Hdpo]+ cation is bisected by a crystallographic mirror plane, and the additional H atom in the cation is shared by the two pyridyl N atoms to form a symmetrical intramolecular N⋯H⋯N hydrogen bond. The cations and perchlorate anions are linked through C—H⋯O hydrogen bonds and π–π stacking interactions to form one‐dimensional tubes along the b‐axis direction. 相似文献
9.
Wei Sun Yan‐Tuan Li Zhi‐Yong Wu Ning‐Yu Xiao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m111-m113
In the crystal structure of the title complex, [Ni2(C10H20N4O2)(C12H12N2)2](ClO4)2 or [Ni(dmaeoxd)Ni(dmbp)2](ClO4)2 {H2dmaeoxd is N,N′‐bis[2‐(dimethylamino)ethyl]oxamide and dmbp is 4,4′‐dimethyl‐2,2′‐bipyridine}, the deprotonated dmaeoxd2− ligand is in a cis conformation and bridges two NiII atoms, one of which is located in a slightly distorted square‐planar environment, while the other is in an irregular octahedral environment. The cation is located on a twofold symmetry axis running through both Ni atoms. The dmaeoxd2− ligands interact with each other via C—H⋯O hydrogen bonds and π–π interactions, which results in an extended chain along the c axis. 相似文献
10.
Craig M. Forsyth Douglas R. MacFarlane Pamela M. Dean 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):m169-m170
The title compound, also known as sodium nicotinate, Na+·C6H4NO2−, consists of two unique Na atoms coordinated to two unique pyridine‐3‐carboxylate ligands through the N atoms and carboxylate groups. One Na atom and one pyridine‐3‐carboxylate ligand lie on a twofold axis. Extensive Na coordination results in a three‐dimensional array comprising infinite NaO2CR chains linked by intrachain Na—N bonds. 相似文献
11.
Li‐Juan Chen Shu‐Mei Chen Quan‐Zheng Zhang Can‐Zhong Lu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m269-m271
The title compound, {[Ce(C2H6OS)6(H2O)2][NaMo8O26]}n, contains an infinite chain of β‐octamolybdate moieties linked by Na+ ions, and further linked into a two‐dimensional network by [Ce(DMSO)6(H2O)2]3+ (DMSO is dimethyl sulfoxide) groups via hydrogen‐bond interactions. The Ce and Na atoms are located on a twofold axis and an inversion centre, respectively. 相似文献
12.
Zofia Olejnik Tadeusz Lis 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1310-1311
The title compound, [Mn(CF3COO)2(H2O)4], crystallizes in the monoclinic space group C2/c. At about 215 K, it undergoes a reversible phase transition, which leads to crystal twinning. The crystal structure of the high‐temperature phase was determined at 220 K. The Mn2+ ion lies on a twofold axis and is octahedrally coordinated by two monodentate trifluoroacetate ligands in apical positions and by four equatorial aqua ligands, two of which lie on the twofold axis. Hydrogen‐bonding interactions connect the complex molecules, generating a three–dimensional network. 相似文献
13.
John Bacsa Desmond Eve Kim R. Dunbar 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m58-m60
Single crystals of the title compound, [Co(C2O4)(H2O)2]n, have been prepared by hydrothermal methods and characterized by X‐ray diffraction analysis. The crystal structure consists of infinite one‐dimensional chains of diaquacobalt(II) units bridged by oxalate groups. These chains lie on twofold symmetry axes parallel to the b axis, and the [Co(C2O4)]n system is nearly planar within experimental error. The cobalt(II) coordination polyhedra are irregular octahedra, with oxalate O atoms at the equatorial positions and water molecules at the axial positions. The chains are linked by hydrogen bonds via the water molecules. 相似文献
14.
Masood Parvez Saqib Ali Sajjad Ahmad Moazzam Hussain Bhatti Muhammad Mazhar 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):m334-m335
The crystal structure of catena‐poly[[tri‐n‐butyltin]‐μ‐3‐(1‐naphthylaminocarbonyl)acrylato‐κ2O1:O3], [Sn(C4H9)3(C14H10NO3)]n, is composed of polymeric chains wherein the metal center exhibits a distorted trigonal‐bipyramidal geometry, with three n‐butyl groups defining the trigonal plane [mean Sn—C 2.133 (7) Å] and the axial positions being occupied by the carboxylate O atoms of two different N‐(1‐naphthyl)maleamate ligands with inequivalent Sn—O distances [2.167 (4) and 2.457 (4) Å]. The N‐(1‐naphthyl)maleamate fragment forms an essentially planar seven‐membered ring involving an intramolecular N—H?O hydrogen bond. 相似文献
15.
Li‐Ping Lu Si‐Si Feng Hong‐Mei Zhang Miao‐Li Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):m283-m284
The crystal structure of the title compound, [Cu2(C12H7N2O)2]·H2O, shows that this dinuclear complex has shorter Cu—N, Cu—O and Cu—Cu distances within the coordination sphere than similar reported complexes. The complex molecule is located on a centre of symmetry and the water molecule is on a twofold axis of the space group C2/c. The discrete complex molecules are extended into a two‐dimensional supramolecular array viaπ–π stacking interactions, intermolecular Cu⋯Cu interactions and C—H⋯O hydrogen bonds. 相似文献
16.
Ivanka Matijai Gordana Pavlovi Rudolf Trojko Jr 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o184-o186
The X‐ray crystal structure analysis of the title compound, C17H30O8, revealed a 4C1 conformation of the pyranosyl ring [Cremer–Pople puckering parameters of Q = 0.568 (2) Å, θ = 5.1 (2) and ϕ = 218 (3)°]. The structure shows no deviations from the geometric parameters of pyranoside carbohydrates. The hydroxyl groups participate in O—H⃛O hydrogen bonds, forming a two‐dimensional pattern [O⃛O = 2.811 (3) and 2.995 (3) Å]. 相似文献
17.
Edward E. vila Asilo J. Mora Gerzon E. Delgado Belkis M. Ramírez Alí Bahsas Sonia Koteich 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o759-o761
In the title compound, C7H13NO2·0.5H2O, cis‐4‐aminocyclohexanecarboxylic acid exists as a zwitterion and co‐crystallizes with water molecules in a 2:1 amino acid–water ratio. The cyclohexane ring adopts a chair conformation, with the carboxylate and ammonium groups in axial and equatorial positions, respectively. The basic motif in the crystal structure is a sandwich structure, formed by two amino acid units linked by head‐to‐tail hydrogen bonds. Hydrogen bonds of the type N+—H⋯O—C—O− link these motifs, forming helicoidally extended chains running along the c axis. The water molecule lies on a twofold axis and interacts with the chains by means of O—H⋯O hydrogen bonds. 相似文献
18.
Ahmet Karadag Hümeyra Paaoglu Gkhan Kata Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m581-m583
The title compound, catena‐poly[[μ‐cyano‐1:2κ2C:N‐dicyano‐1κ2C‐trans‐bis[N‐(2‐hydroxyethyl)ethane‐1,2‐diamine‐2κ2N,N′]cadmium(II)nickel(II)]‐μ‐cyano‐1:2′κ2C:N], [CdNi(CN)4(C4H12N2O)2], consists of alternating square‐planar Ni(CN)4 fragments, formally dianionic, and Cd(hydet‐en)2 moieties [hydet‐en is N‐(2‐hydroxyethyl)ethylenediamine], with the two bridging cyanide ligands in a mutually trans disposition at the Ni atom and cis at the Cd atom. The resulting one‐dimensional zigzag chain structure has the Ni atom on an inversion center, while the distorted octahedron centered on the Cd atom lies on a twofold axis. The polymer chains are connected into undulating sheets by weak interchain N—H⋯N, N—H⋯O and O—H⋯N hydrogen bonds, which are also present between successive sheets. 相似文献
19.
Yan Zheng 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m471-m472
In the title complex, [Ag(NO3)(C14H14N4S4)]n, the AgI atom lies on a twofold axis and shows a distorted tetrahedral coordination, comprised of two N‐atom donors from two thiadiazole groups of separate ligands and two O‐atom donors from one nitrate ligand. Each bis(thioether) ligand also lies on a twofold axis and bridges two adjacent Ag atoms to form an infinite chain along the c axis, with an Ag⋯Ag separation of 11.462 (4) Å. Adjacent one‐dimensional chains are further linked into double‐chain motifs through weak Ag⋯S and π–π stacking interactions. 相似文献
20.
Mark Davison Elizabeth M. Kikolski David Mostafavi Roger A. Lalancette Hugh W. Thompson 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):o249-o252
The (+)‐(αS,1S,4R)‐diastereomer of the title structure, C10H16O3, aggregates in the solid as non‐symmetric dimers with disorder in both carboxyl groups [O·O = 2.710 (5) and 2.638 (5) Å]. The two molecules constituting the asymmetric unit pair around a pseudo‐twofold rotational axis and differ only slightly in their distances and angles, but one methyl group displays rotational disorder absent in the other molecule. Five intermolecular C—H·O close contacts exist, involving both ketone groups. The (+)‐(αR,1R,4R)‐diastereomer exists in the crystal in its closed‐ring lactol form, (3R,3aR,6R,7aR)‐2,3,3a,4,5,6,7,7a‐octahydro‐7a‐hydroxy‐3,6‐dimethylbenzo[b]furan‐2‐one, C10H16O3, and aggregates as hydrogen‐bonded catemers that extend from the hydroxyl group of one molecule to the carbonyl group of a neighbor screw‐related along b [O·O = 2.830 (3) Å and O—H·O = 169°]. One close intermolecular C—H·O contact exists involving the carbonyl group. 相似文献