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1.
V. H. Rodrigues J. A. Paixo M. M. R. R. Costa A. Matos Beja 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):761-763
The title compound, C5H12NO2+·C2F3O2? or BET+·CF3COO? [BET is trimethylglycine (betaine); IUPAC: 1‐carboxy‐N,N,N‐trimethylmethanaminium inner salt], contains pairs of betainium and trifluoroacetate ions forming a dimer bridged by a strong hydrogen bond between the carboxyl and carboxylate groups of the two ions. The molecular symmetry of the cation is close to Cs, with protonation occurring at the carboxy O atom positioned anti to the N atom. The trifluoroacetate anions are disordered over two positions. In one, the conformation of the CF3 group is staggered with respect to the carboxylate group, in the other, it is close to an eclipsed conformation. The sole hydrogen bond present in the structure is the strong O—H?O bond between the anion and the cation. 相似文献
2.
Kiyoshi Sato Sadao Arai Takamichi Yamagishi Tomoaki Tanase 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o162-o164
In 8a‐azonia[6]helicene hexafluorophosphate or 8a‐azoniaphenanthro[3,4‐c]phenanthrene hexafluorophosphate, C25H16N+·PF6−, replacement of an outer bridgehead carbon of hexahelicene by a quaternary Nsp2 atom results in a geometrical change in the helical structure. The racemic heterohelicene forms homochiral columnar stacks through intermolecular π–π donor–acceptor interactions in the crystalline state. 相似文献
3.
Christian Näther Mario Wriedt Inke Jeß 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(12):1395-1397
In the structure of the title compound, [Cu3Br2(C6H5N2O2)2(H2O)4], both copper(I) and copper(II) cations are present. The copper(II) cations are located on centres of inversion and are coordinated by two N atoms and two carboxylate O atoms from two symmetry-related 5-methylpyrazine-2-carboxylate anions, with two water molecules completing a distorted octahedron. The copper(I) cations are coordinated by the second N atom of the 5-methylpyrazine-2-carboxylate anion, one water molecule and two bromide anions within a distorted tetrahedron. Each of the bromide anions connects two symmetry-equivalent copper(I) cations to form zigzag-like CuBr chains. These chains are connected by the [diaquabis(5-methylpyrazine-2-carboxylato)]copper(II) complexes, forming corrugated sheets parallel to (100). The CuBr chains and the sheets are connected via O—H⋯O and O—H⋯Br hydrogen bonding. 相似文献
4.
Yasuhiro Fuma Masahiro Ebihara 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m284-m289
In diaquatetra‐μ‐acetamidato‐κ4N:O;κ4O:N‐dirhodium(II,III) hexafluorophosphate, [Rh2(C2H4NO)4(H2O)2]PF6, and diaquatetra‐μ‐acetamidato‐κ4N:O;κ4O:N‐dirhodium(II,III)hexafluorophosphate dihydrate, [Rh2(C2H4NO)4(H2O)2]PF6·2H2O, the cations and anions lie on inversion centers. Diaquatetra‐μ‐propionamidato‐κ4N:O;κ4O:N‐dirhodium(II,III) hexafluorophosphate dihydrate, [Rh2(C3H6NO)4(H2O)2]PF6·2H2O, and diaquatetra‐μ‐butyramidato‐κ4N:O;κ4O:N‐dirhodium(II,III) hexafluorophosphate, [Rh2(C4H8NO)4(H2O)2]PF6, crystallize with two crystallographically independent complexes that lie on inversion centers. In all of the structures, the dirhodium units are hydrogen bonded to one another. The hydrogen‐bonded networks vary with the alkyl substituents. 相似文献
5.
R. Eric Banks Mohamed K. Besheesh Robin G. Pritchard 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):m141-m143
The structures of N‐fluoropyridinium trifluoromethanesulfonate, C5H5FN+·CF3O3S−, (I), and 1‐fluoro‐2,4,6‐trimethoxy‐1,3,5‐triazinium hexafluoroantimonate, (C6H9FN3O3)[SbF6], (II), are presented. The N—F bond lengths in (I), a well known electrophilic fluorinating agent, and its novel analogue, (II), are 1.357 (4) and 1.354 (4) Å, respectively. 相似文献
6.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o1-o5
The crystal structures of four trifluoromethylnitrobenzene analogues (CF3)C6H3(NO2)[C4H8N2]R (where C4H8N2 is piperazinyl and R is ethyl carboxylate, CO2C2H5, or phenyl, C6H5), have been determined, and their conformations and packing arrangements are compared. The four compounds are ethyl 4‐[4‐nitro‐2‐(trifluoromethyl)phenyl]piperazine‐1‐carboxylate, (I), and ethyl 4‐[2‐nitro‐4‐(trifluoromethyl)phenyl]piperazine‐1‐carboxylate, (II), both C14H16F3N3O4, and 1‐[4‐nitro‐2‐(trifluoromethyl)phenyl]‐4‐phenylpiperazine, (III), and 1‐[2‐nitro‐4‐(trifluoromethyl)phenyl]‐4‐phenylpiperazine, (IV), both C17H16F3N3O2. All molecules adopt a rod‐like conformation, while the asymmetric units of (II) and (IV) contain two unique molecules that pack as monodirectional pairs. All molecules pack with C—H⋯O/F close contacts to all but one of the O atoms and to five of the 18 F atoms. 相似文献
7.
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
8.
Michael Bolte Alexander Degen Ernst Egert 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1338-1342
We have determined the crystal structures of bicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic anhydride, C9H8O3, (I), 1,2,3,4,7,7‐hexachlorobicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic anhydride diethyl ether solvate, C9H2Cl6O3·0.16C4H10O, (II), bicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic acid, C9H10O4, (III), 1,2,3,4,7,7‐hexachlorobicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic acid, C9H4Cl6O4, (IVa) and (IVb), and ethyl 1,2,3,4,7,7‐hexachloro‐6‐carboxybicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5‐carboxylate monohydrate, C11H8Cl6O4·H2O, (V). Compounds (I) and (II) were prepared by a standard Diels–Alder reaction from maleic anhydride and cyclopentadiene or hexachlorocyclopentadiene, respectively. The crystal‐growing processes of these compounds led to surprising results: rapid recrystallization of (I) from diethyl ether and (II) from petroleum ether gave crystals of these compounds, however, crystallization by slow evaporation techniques using common solvents yielded new compounds in which the five‐membered heterocycle has been cleaved. 相似文献
9.
Andr Deluzet Olivier Guillou 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):m277-m279
The title compound is composed of one‐dimensional polymeric {[Er2(C12O12)(H2O)10]·4H2O}n chains containing Er in a slightly distorted antiprismatic eightfold coordination. The benzenehexacarboxylate ion is located about an inversion centre. Water molecules of crystallization, linked by hydrogen bonding to water molecules of the rare earth coordination spheres or the carboxylate groups of the organic ligands, fill the space generated by the packing of the separated chains. 相似文献
10.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):m271-m274
Hexamethylenetetramine, C6H12N4, and ferrocenecarboxylic acid, C11H10FeO2, form a 1:2 adduct, (I), which is a salt, viz. hexamethylenetetraminium(2+) bis(ferrocenecarboxylate), (C6H14N4)[Fe(C5H5)(C6H4O2)]2. The dication in (I) is disordered with two orientations at a site of mm2 symmetry in space group Fmm2, while the anion lies across a mirror plane with its unsubstituted cyclopentadienyl ring disordered over two sets of sites. With ferrocene‐1,1′‐dicarboxylic acid, C12H10FeO4, hexamethylenetetramine forms a 1:1 adduct, (II), in which both components are neutral, viz. hexamethylenetetramine–ferrocene‐1,1′‐dicarboxylic acid (1/1), [Fe(C6H5O2)2]·C6H12N4. The amine component in (II) is disordered with two orientations at a site of mm2 symmetry in space group Cmcm, while the acid component is disordered with two orientations at a site of 2/m symmetry. The components in (I) are linked into a finite three‐ion aggregate by a single N—H⃛O hydrogen bond, while the components of (II) are linked into continuous chains by a single O—H⃛N hydrogen bond. 相似文献
11.
Nobuo Okabe Yasunori Muranishi 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m228-m230
The title complexes, trans‐diaquabis(quinoline‐2‐carboxylato‐κ2N,O)cobalt(II)–water–methanol (1/2/2), [Co(C10H6NO2)2(H2O)2]·2CH4O·2H2O, and trans‐diaquabis(quinoline‐2‐carboxylato‐κ2N,O)nickel(II)–water–methanol (1/2/2), [Ni(C10H6NO2)2(H2O)2]·2CH4O·2H2O, are isomorphous and contain CoII and NiII ions at centers of inversion. Both complexes have the same distorted octahedral coordination geometry, and each metal ion is coordinated by two quinoline N atoms, two carboxylate O atoms and two water O atoms. The quinoline‐2‐carboxylate ligands lie in trans positions with respect to one another, forming the equatorial plane, with the two water ligands occupying the axial positions. The complex molecules are linked together by hydrogen bonding involving a series of ring patterns which include the uncoordinated water and methanol molecules. 相似文献
12.
Montserrat Alfonso Antonia Neels Helen Stoeckli-Evans 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(10):1144-1146
The new nickel(II) coordination polymer poly[diaquanickel(II)-μ-(pyrazine-2,3,5,6-tetracarboxylato)-tetraaquanickel(II)], {[{Ni(C8N2O8)(H2O)2}Ni(H2O)4]}n, has been synthesized and characterized both spectroscopically and crystallographically, by X-ray powder diffraction analysis. In this two-dimensional coordination polymer, NiII ions are bridged by pyrazine-2,3,5,6-tetracarboxylic acid, coordinating in a bis-bidentate manner, so forming one-dimensional polymeric chains. The chains are linked by a second NiII ion, via an O atom of the coordinated carboxylate group, resulting in the formation of a two-dimensional layer-like polymer. The remaining coordination sites of the two independent octahedral NiII ions are occupied by water molecules. The layers are connected via hydrogen bonds involving all six coordinated water molecules. 相似文献
13.
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
14.
Chun‐Bo Liu Guang‐Bo Che Chuan‐Bi Li Yun‐Cheng Cui 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):m153-m155
An in situ reaction under hydrothermal conditions leads to the formation of the title compound, diaqua(pyridine‐2‐carboxylato)(pyridine‐2,6‐dicarboxylato)indium(II) trihydrate, [In(C6H4NO2)(C7H3NO4)(H2O)2]·3H2O, in which the central InIII atom is seven‐coordinated by one pyridine‐2,6‐dicarboxylate ligand, one pyridine‐2‐carboxylate ligand and two water molecules in a pentagonal–bipyramidal coordination environment. An indium(III)–water chain based on an unusual water pentamer is observed. 相似文献
15.
Nobuo Okabe Yasunori Muranishi 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):m475-m477
The molecules of 8‐hydroxyquinolinium‐2‐carboxylate, C10H7NO3, have a planar structure, in which the carboxyl group is ionized and the ring N atom is protonated. The derived nickel(II) complex, bis(8‐hydroxyquinoline‐2‐carboxylato‐κ3O2,N,O8)nickel(II) trihydrate, [Ni(C10H6NO3)2]·3H2O, contains an octahedral central NiII ion coordinated by the hydroxyl O atom, the ring N atom and the carboxylate O atom of each of the two tridentate ligands, with a perpendicular orientation of the quinoline rings. 相似文献
16.
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
17.
Yang‐Yi Yang Xiao‐Ming Chen Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):e111-e112
In the asymmetric unit of the title compound, 2C12H24N+·C6H8O42?·H2O, the carboxylate ion lies about an inversion center, the water molecule is on a twofold axis and the sec‐ammonium cation is in a general position. Cations link the oxygen ends of two adjacent carboxylate anions to form an eight‐membered ring [N?O 2.683 (3) and 2.711 (3) Å]. The ion pair propagates as a linear chain and adjacent chains are linked through the water molecules [O?O 2.966 (3) Å] into layers. 相似文献
18.
Ning‐Hai Hu Yasuhiro Kiyota Katsuyuki Aoki 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1284-1286
In the title compound, 3‐[(3,4‐dihydro‐2‐methyl‐4‐oxopyrimidin‐5‐yl)methyl]‐5‐(2‐hydroxyethyl)‐4‐methylthiazolium hexafluorophosphate monohydrate, C12H16N3O2S+·PF6?·H2O, oxythiamine is a monovalent cation with a neutral oxopyrimidine ring. The molecule assumes the F conformation, which is a common form for thiamine but which is substantially different from the unusual V conformation found in the chloride and hydrochloride salts of oxythiamine. The anion‐bridging interaction, C—H?anion?pyrimidine, is emphasized as being important for stabilization of the F conformation. 相似文献
19.
Maria Ana Castro Zulema D. Chaia Oscar E. Piro Fabio D. Cukiernik Eduardo E. Castellano Marcia Rusjan 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):m393-m395
The title compound, tetrakis(μ‐3,4,5‐triethoxybenzoato‐κ2O:O′)bis[(pyrazine‐κN)rhodium(II)](Rh—Rh), [Rh2(C13H17O5)4(C4H4N2)2], crystallizes on an inversion centre in the triclinic space group . The equatorial carboxylate ligands bridge the two RhII atoms, giving a binuclear lantern‐like structure. The pyrazine molecules occupy the two axial coordination sites. The phenyl rings are tilted by ca 10° with respect to the attached carboxylate groups. The pyrazine planes have a torsion angle of ca 19° around the Rh—N bond with respect to the plane of the nearer carboxylate group and are not coplanar with the Rh—Rh bond. 相似文献
20.
Marina S. Fonari Yurii A. Simonov Yurii M. Chumakov Gabriele Bocelli Eduard V. Ganin Vladimir O. Gelmboldt 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):m168-m170
X‐ray data were obtained for the monoclinic polymorph of rac‐5,7,7,12,12,14‐hexamethyl‐1,4,8,11‐tetraazoniacyclotetradecane bis(hexafluorogermanate) tetrahydrate, (C16H40N4)[GeF6]2·4H2O. The tetraaza‐macrocyclic cations lie across inversion centers in space group P21/c. Water molecules and [GeF6]2− anions form zigzag chains, which alternate in a three‐dimensional network with the macrocyclic cations. The structure is sustained by multiple hydrogen bonds. 相似文献