共查询到20条相似文献,搜索用时 15 毫秒
1.
Huub Kooijman Anthony L. Spek Gerard A. van Albada Patrick Gamez Jan Reedijk 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m51-m54
In the crystal structure of [Cu(CF3SO3)(C2N3)(C8H7N5)2]·0.5C2H6O, the CuII atom adopts a distorted octahedral geometry, with the basal plane formed by two N atoms of one dipyrimidinylamine ligand, one N atom of the second pyrimidine ligand and a nitrile N atom of the dicyanamide anion [Cu—N = 1.972 (2)–2.021 (2) Å]. The apical positions are occupied by an N atom of the second ligand [Cu—N = 2.208 (2) Å], and an O atom of the trifluoromethanesulfonate anion [Cu—O = 2.747 (2) Å] at a semi‐coordination distance. Pairs of inversion‐related N—H⋯N hydrogen bonds of the so‐called Watson–Crick type, augmented by two C—H⋯N contacts, link adjacent complexes into an infinite one‐dimensional chain running in the [101] direction. 相似文献
2.
Zun‐Ting Zhang Xin‐Li Cheng Yun He 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):m484-m487
In methylaminium 4′,7‐dihydroxyisoflavone‐3′‐sulfonate dihydrate, CH6N+·C15H9O7S−·2H2O, 11 hydrogen bonds exist between the methylaminium cations, the isoflavone‐3′‐sulfonate anions and the solvent water molecules. In hexaaquairon(II) bis(4′,7‐diethoxyisoflavone‐3′‐sulfonate) tetrahydrate, [Fe(H2O)6](C19H17O7S)2·4H2O, 12 hydrogen bonds exist between the centrosymmetric [Fe(H2O)6]2+ cation, the isoflavone‐3′‐sulfonate anions and the solvent water molecules. Additional π–π stacking interactions generate three‐dimensional supramolecular structures in both compounds. 相似文献
3.
John C. Barnes Timothy J. R. Weakley 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e346-e347
In the title compound, C2H10N22+·2C3H3O4?·H2O, the hydrogen malonate anion has an intramolecular O—H?O hydrogen bond of 2.430 (2) Å. The water molecule lies on a twofold axis and connects the anions into pairs through hydrogen bonds of 2.734 (1) Å. The ethylenediammonium cation lies across an inversion centre. Each of the ammonium protons is involved in hydrogen bonding to an anion or a water molecule [N?O 2.815 (2)–2.875 (2) Å]. 相似文献
4.
Dorcas M. M. Farrell George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):955-957
In the title compound, C4H12N22+·2C8H7O3?·2CH4O, the cations lie across centres of inversion and are disordered over two orientations with equal occupancy; there are equal numbers of (R)‐ and (S)‐mandelate anions present (mandelate is α‐hydroxybenzeneacetate). The anions and the neutral water molecules are linked by O—H?O hydrogen bonds [O?O 2.658 (3) and 2.682 (3) Å, and O—H?O 176 and 166°] into deeply folded zigzag chains. Each orientation of the cation forms two symmetry‐related two‐centre N—H?O hydrogen bonds [N?O 2.588 (4) and 2.678 (4) Å, and N—H?O 177 and 171°] and two asymmetric, but planar, three‐centre N—H?(O)2 hydrogen bonds [N?O 2.686 (4)–3.137 (4) Å and N—H?O 137–147°], and by means of these the cations link the anion/water chains into bilayers. 相似文献
5.
Elizabeth J. MacLean Simon J. Teat Dorcas M. M. Farrell George Ferguson Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o470-o473
The title compound, meso‐5,7,7,12,14,14‐hexamethyl‐4,11‐diaza‐1,8‐diazoniacyclotetradecane bis(3‐carboxy‐5‐nitrobenzoate), C16H38N42+·2C8H4NO6?, is a salt in which the cation is present as two configurational isomers, disordered across a common centre of inversion in P, with occupancies of 0.847 (3) and 0.153 (3). The anions are linked into chains by a single O—H?O hydrogen bond [H?O 1.71 Å, O?O 2.5063 (15) Å and O—H?O 156°] and the cations link these anion chains into sheets by means of a range of N—H?O hydrogen bonds [H?O 1.81–2.53 Å, N?O 2.718 (5)–3.3554 (19) Å and N—H?O 146–171°]. 相似文献
6.
Daniel E. Lynch David Daly Simon Parsons 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1478-1479
The 1:1 organic salt of the title compound, C7H6ClN2O+·C8H5Cl2O3? or [(2‐ABOX)(3,4‐D)], comprises the two constituent molecules associated by an R22(8) graph‐set interaction through the carboxylate group of 3,4‐D across the protonated N/N sites of 2‐ABOX [N?O 2.546 (3) and 2.795 (3) Å]. Cation/anion pairs associate across an inversion centre forming discrete tetramers via an additional three‐centre hydrogen‐bonding association from the latter N amino proton to a phenoxy O atom [N?O 3.176 (3) Å] and a carboxylate O atom [N?O 2.841 (3) Å]. This formation differs from the polymeric hydrogen‐bonded chains previously observed for adduct structures of 2‐ABOX with carboxylic acids. 相似文献
7.
Peter G. Jones Olga Crespo M. Concepcin Gimeno Antonio Laguna 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m411-m412
The title compound, [Ag(CF3O3S)(C10H9N3)]n, is a chain polymer in which neighbouring monomeric units are related by a glide plane. The silver centre is four‐coordinate; the donor atoms are one trifluoromethanesulfonate O atom and one pyridine N atom from each of two symmetry‐related dipyridylamines, and an additional and unexpected Ag⋯C contact [2.6464 (16) Å] is observed to a pyridine C atom. The chains are reinforced by one classical N—H⋯O and two `weak' C—H⋯O hydrogen bonds. 相似文献
8.
Srinivasulu Aitipamula Ashwini Nangia Ram Thaimattam Mariusz Jasklski 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o481-o484
In tris(4‐hydroxyphenyl)methane (or 4,4′,4′′‐methanetriyltriphenol), C19H16O3, molecules are connected by O—H⃛O hydrogen bonds [O⃛O = 2.662 (2) and 2.648 (2) Å] into two‐dimensional square networks that are twofold interpenetrated. In tris(4‐hydroxyphenyl)methane–4,4′‐bipyridine (1/1), C19H16O3·C10H8N2, trisphenol molecules form rectangular networks via O—H⃛O [O⃛O = 2.694 (3) Å] and C—H⃛O [C⃛O = 3.384 (3) Å] hydrogen bonds. Bipyridine molecules hydrogen bonded to phenol moieties [O⃛N = 2.622 (3) and 2.764 (3) Å] fill the voids to complete the structure. 相似文献
9.
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
10.
Graham Smith Urs D. Wermuth Peter C. Healy 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):o555-o558
The crystal structures of two proton‐transfer compounds of 3‐carboxy‐4‐hydroxybenzenesulfonic acid (5‐sulfosalicylic acid) with the aromatic polyamines 2,6‐diaminopyridine [namely 2,6‐diaminopyridinium 3‐carboxy‐4‐hydroxybenzenesulfonate monohydrate, C5H8N3+·C7H5O6S−·H2O, (I)] and 1,4‐phenylenediamine [namely 1,4‐phenylenediaminium 3‐carboxylato‐4‐hydroxybenzenesulfonate, C6H10N22+·C7H4O6S2−, (II)] have been determined. Both compounds feature extensively hydrogen‐bonded three‐dimensional layered polymer structures having significant interlayer π–π interactions between the cation and anion species. In (I), the pyridine N atom of the Lewis base is protonated and forms a direct hydrogen‐bonding interaction with the water molecule, which together with the two amine groups of the cation and the carboxylic acid group of the anion also give additional interactions with O‐atom acceptors of the sulfonate group. In (II), a dianionic species results from deprotonation of both the sulfonic and the carboxylic acid groups, and all available O‐atom acceptors interact with all dication donors, which lie about inversion centres. 相似文献
11.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):o204-o208
The adduct 1,6‐diaminohexane–1,1,1‐tris(4‐hydroxyphenyl)ethane (1/2) is a salt {hexane‐1,6‐diyldiammonium–4‐[1,1‐bis(4‐hydroxyphenyl)ethyl]phenolate (1/2)}, C6H18N22+·2C20H17O3?, in which the cation lies across a centre of inversion in space group P. The anions are linked by two short O—H?O hydrogen bonds [H?O 1.74 and 1.76 Å, O?O 2.5702 (12) and 2.5855 (12) Å, and O—H?O 168 and 169°] into a chain containing two types of R(24) ring. Each cation is linked to four different anion chains by three N—H?O hydrogen bonds [H?O 1.76–2.06 Å, N?O 2.6749 (14)–2.9159 (14) Å and N—H?O 156–172°]. In the adduct 2,2′‐bipyridyl–1,1,1‐tris(4‐hydroxyphenyl)ethane (1/2), C10H8N2·2C20H18O3, the neutral diamine lies across a centre of inversion in space group P21/n. The tris(phenol) molecules are linked by two O—H?O hydrogen bonds [H?O both 1.90 Å, O?O 2.7303 (14) and 2.7415 (15) Å, and O—H?O 173 and 176°] into sheets built from R(38) rings. Pairs of tris(phenol) sheets are linked via the diamine by means of a single O—H?N hydrogen bond [H?N 1.97 Å, O?N 2.7833 (16) Å and O—H?N 163°]. 相似文献
12.
Daniel Fernndez Daniel Vega Andrs Goeta 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):m494-m497
The title compound, calcium bis(3‐ammonio‐1‐hydroxypropylidene‐1,1‐bisphosphonate) dihydrate, Ca2+·2C3H10NO7P2?·2H2O, consists of calcium octahedra arranged in columns along the c axis and coordinated by hydrogen‐bonded molecular anions. The Ca2+ cation lies on a twofold axis. Pamidronate adopts a twisted conformation of the hydroxyalkylamine backbone that enables the formation of an intramolecular N—H?O hydrogen bond. The molecular anion is chelating monodentate as well as bidentate, with an O?O bite distance of 3.0647 (15) Å. 相似文献
13.
Gnana Sutha Siluvai Babu Varghese Narasimha N. Murthy 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o380-o382
In the title salt, 1,3‐bis{[2‐(2‐pyridinio)ethyl][2‐(2‐pyridyl)ethyl]amino}benzene diperchlorate dihydrate, C34H38N62+·2ClO4−·2H2O, the cation contains two ethylpyridyl and two ethylpyridinium pendant pairs anchored to the two N atoms of 1,3‐phenylenediamine. The pyridyl and pyridinium N atoms are flanked by a molecule of water through strong hydrogen‐bonding interactions [N—H⋯O = 2.762 (6) and 2.758 (6) Å, and O—H⋯N = 2.834 (6) and 2.839 (6) Å]. The water molecules have weak hydrogen‐bonding interactions with the perchlorate anions as well. One of the perchlorate anions is severely disordered. 相似文献
14.
Viktor Kettmann Jan Svtlík 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):o423-o424
The X‐ray structure analysis of the unexpected product of the reaction between 4‐(4‐methylphenyl)but‐3‐en‐2‐one and aminoguanidine revealed the title compound, C12H17N4+·C2H3O2?·0.5C3H6O, consisting of a protonated amidine moiety joined to a substituted pyrazoline ring at the N1 atom. The amidine group is protonated and the positive charge is delocalized over the three C—N bonds in a similar manner to that found in guanidinium salts. The amidinium moiety of the cation is linked to the acetate anions through four N—H?O hydrogen bonds, with N?O distances of 2.749 (4), 2.848 (4), 2.904 (4) and 2.911 (4) Å. The pyrazoline ring adopts a flattened envelope conformation and the substituted phenyl ring is oriented perpendicular to the attached heterocycle. The acetone solvate molecule lies across a twofold rotation axis. 相似文献
15.
Frank J. Feher Richard K. Baldwin Joseph W. Ziller 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):633-634
The crystal structure of the title complex, (η6‐hexamethylbenzene)bis(trifluoromethanesulfonato‐O)(2,4,6‐trimethylaniline‐N)ruthenium(II), [Ru(CF3O3S)2(C12H18)(C9H13N)], is described. The complex has the classic three‐legged piano‐stool structure with a planar arene 1.667 Å from the metal, two monodentate O‐bound trifluoromethanesulfonate ligands [Ru—O 2.169 (2) and 2.174 (2) Å] and one N‐bound mesidine ligand [Ru—N 2.198 (2) Å]. The Ru—N distance is relatively long and the average Ru—O distance is relatively short when compared with previously characterized RuII complexes. 相似文献
16.
Ponraj Prabakaran Jebamony Justin Robert Packianathan Thomas Muthiah Gabriele Bocelli Lara Righi 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):459-461
In the title cocrystal, trimethoprim maleate [2,4‐diamino‐5‐(3,4,5‐trimethoxybenzyl)pyrimidin‐1‐ium maleate], C14H19N4O3+·C4H3O4?, the trimethoprim molecule is protonated at N1. The carboxyl group of the maleate ion makes a specific double hydrogen bond of type N—H?O with the 2‐amino group and the protonated N1 atom of the trimethoprim cation which is similar to the carboxylate–trimethoprim cation interaction observed in the complex of dihydrofolate reductase with trimethoprim. The pyrimidine moieties of trimethoprim cations are centrosymmetrically paired through a pair of N—H?N hydrogen bonds involving the 4‐amino group and the pyridinium N3 atom of a symmetry‐related molecule. One of the O atoms at the maleate carboxylate group bridges the 2‐amino and 4‐amino groups on either side of the paired trimethoprim cations. The other O atom of the carboxylate group forms an intramolecular O—H?O hydrogen bond with the carboxyl group. These characteristic hydrogen bonds result in infinite two‐dimensional aggregation of rings into a supramolecular ladder, which is further crosslinked through weak C—H?O interactions with methoxy groups of neighbouring trimethoprim molecules to form a layered structure. 相似文献
17.
Daphne E. Keller Huub Kooijman Antoine M. M. Scheurs Jan Kroon Eugeniusz Grech 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):479-480
The structure of the title compound, C14H19N2+·C9H3Cl6O4?·H2O, consists of singly ionized 1,4,5,6,7,7‐hexachlorobicyclo[2.2.1]hept‐5‐ene‐2,3‐dicarboxylic acid anions and protonated 1,8‐bis(dimethylamino)naphthalene cations. In the (8‐dimethylamino‐1‐napthyl)dimethylammonium cation, a strong disordered intramolecular hydrogen bond is formed with N?N = 2.589 (3) Å. The geometry and occupancy obtained in the final restrained refinement suggest that the disordered hydrogen bond may be asymmetric. Water molecules link the anion dimers into infinite chains via hydrogen bonding. 相似文献
18.
Yun‐Ling Gao Xiao‐Jun Peng Shi‐Guo Sun Chang‐Neng Chen 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m13-m15
The novel μ‐oxo‐diiron complex [Fe2O(BPHPA)2](ClO4)4 [BPHPA is (6‐hydroxymethyl‐2‐pyridylmethyl)bis(2‐pyridylmethyl)amine, C19H20N4O], contains a binuclear centrosymmetric [Fe2O(BPHPA)2]4+ cation (the bridging O atom lies on an inversion centre) and four perchlorate anions. Each iron ion is coordinated by four N atoms [Fe—N = 2.117 (5)–2.196 (5) Å] and one O atom [Fe—O = 2.052 (5) Å] from a BPHPA ligand, and by one bridging oxo atom [Fe—O = 1.7896 (9) Å], forming a distorted octahedron. There are hydrogen bonds between the hydroxy group and perchlorate O atoms [O—H·O = 2.654 (7) Å]. 相似文献
19.
Hai‐Ying Wang Shyh‐Jiun Liu Ru‐Ji Wang Chan‐Cheng Su 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m512-m515
The organic ligands 4‐methyl‐1H‐imidazole and 2‐ethyl‐4‐methyl‐1H‐imidazole react with Cu(CF3SO3)2·6H2O to give tetrakis(5‐methyl‐1H‐imidazole‐κN3)copper(II) bis(trifluoromethanesulfonate), [Cu(C4H6N2)4](CF3SO3)2, and aquatetrakis(2‐ethyl‐5‐methyl‐1H‐imidazole‐κN3)copper(II) bis(tri fluoromethanesulfonate), [Cu(C6H10N2)4(H2O)](CF3SO3)2. In the former, the Cu atom has an elongated octahedral coordination environment, with four imidazole rings in equatorial positions and two trifluoromethanesulfonate ions in axial positions. This conformation is similar to those in the analogous complexes tetrakis(imidazole)copper(II) trifluoromethanesulfonate and tetrakis(2‐methyl‐1H‐imidazole)copper(II) trifluoromethanesulfonate. In the second of the title compounds, the ethyl groups block the central Cu atom, and a square‐pyramidal coordination environment is formed around the Cu atom, with the substituted imidazole rings in the basal positions and a water molecule in the axial position. 相似文献
20.
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