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1.
Graham Smith Urs D. Wermuth Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):o464-o468
In the crystal structures of the proton‐transfer compounds of strychnine with 3,5‐dinitrosalicylic acid, namely strychninium 3,5‐dinitrosalicylate, C21H23N2O2+·C7H3N2O7−, (I), and 5‐nitrosalicylic acid, namely strychninium–5‐nitrosalicylate–5‐nitrosalicylic acid (1/1/2), C21H23N2O2+·C7H4NO5−·2C7H5NO5, (II), protonation of one of the N atoms of the strychnine molecule occurs and this group is subsequently involved in intermolecular hydrogen‐bonding interactions. In (I), this is four‐centred, the primary being with an adjacent strychninium carbonyl O‐atom acceptor in a side‐to‐side interaction giving linear chains. Other interactions are with the phenolate and nitro O‐atom acceptors of the anionic species, resulting in a one‐dimensional polymer structure. In (II), the N+—H interaction is three‐centred, the hydrogen bonding involving carboxyl O‐atom acceptors of the anion and both acid adduct species, giving unique discrete hetero‐tetramer units. The structure of (II) also features π‐bonding interactions between the two acid adduct molecules. 相似文献
2.
In the title compound, catena‐poly[[[N,N′‐bis(pyridin‐3‐ylmethyl)‐[1,1′‐biphenyl]‐4,4′‐dicarboxamide]chloridozinc(II)]‐μ‐[1,1′‐biphenyl]‐4,4′‐dicarboxylato‐[[N,N′‐bis(pyridin‐3‐ylmethyl)‐[1,1′‐biphenyl]‐4,4′‐dicarboxamide]chloridozinc(II)]‐μ‐[N,N′‐bis(pyridin‐3‐ylmethyl)‐[1,1′‐biphenyl]‐4,4′‐dicarboxamide]], [Zn2(C14H8O4)Cl2(C26H22N4O2)3]n, the ZnII centre is four‐coordinate and approximately tetrahedral, bonding to one carboxylate O atom from a bidentate bridging dianionic [1,1′‐biphenyl]‐4,4′‐dicarboxylate ligand, to two pyridine N atoms from two N,N′‐bis(pyridin‐3‐ylmethyl)‐[1,1′‐biphenyl]‐4,4′‐dicarboxamide ligands and to one chloride ligand. The pyridyl ligands exhibit bidentate bridging and monodentate terminal coordination modes. The bidentate bridging pyridyl ligand and the bridging [1,1′‐biphenyl]‐4,4′‐dicarboxylate ligand both lie on special positions, with inversion centres at the mid‐points of their central C—C bonds. These bridging groups link the ZnII centres into a one‐dimensional tape structure that propagates along the crystallographic b direction. The tapes are interlinked into a two‐dimensional layer in the ab plane through N—H...O hydrogen bonds between the monodentate ligands. In addition, the thermal stability and solid‐state photoluminescence properties of the title compound are reported. 相似文献
3.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):914-917
In ferrocene‐1,1′‐diylbis(diphenylmethanol)–4,4′‐ethylenedipyridine (1/1), [Fe(C18H15O)2]·C12H12N2, there is an intramolecular O—H?O hydrogen bond in the ferrocenediol component and a single O—H?N hydrogen bond linking the two components into a finite monomeric adduct. Ferrocene‐1,1′‐diylbis(diphenylmethanol)–ethylenediamine (1/1), [Fe(C18H15O)2]·C2H8N2, crystallizes with Z′ = 2 in space group P, and there are two independent four‐component aggregates in the structure, both of which are centrosymmetric. In the first type of aggregate, the molecular components are linked by O—H?N and N—H?O hydrogen bonds, in which both diamine N atoms participate; in the second type of aggregate, the diamine component is disordered over two sets of sites, but only one N atom is involved in the hydrogen bonding. 相似文献
4.
Xiang‐Rong Hao Zhong‐Min Su Ya‐Hui Zhao Kui‐Zhan Shao Yong Wang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):m469-m471
A novel cadmium(II) coordination polymer, poly[[[bis(4,4′‐bipyridine)cadmium(II)]‐μ3‐4,4′‐dicarboxybiphenyl‐3,3′‐dicarboxylato] 0.35‐hydrate], {[Cd(C16H8O8)(C10H8N2)2]·0.35H2O}n, was obtained by reaction of Cd(CH3COO)2·3H2O, 4,4′‐bipyridine (4,4′‐bpy) and biphenyl‐3,3′,4,4′‐tetracarboxylic acid (H4L) under hydrothermal conditions. Each CdII atom lies at the centre of a distorted octahedron, coordinated by four O atoms from three H2L2− ligands and N atoms from two monodentate 4,4′‐bpy ligands. Each H2L2− ligand coordinates to three CdII atoms through two carboxylate groups, one acting as a bridging bidentate ligand and the other in a chelating bidentate fashion. Two Cd atoms, two H2L2− anions and four 4,4′‐bpy ligands form a ring dimer node, which links into an extended broad zonal one‐dimensional chain along the c axis. 相似文献
5.
Md. Badruz Zaman Masaaki Tomura Yoshiro Yamashita 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):621-624
The title compounds, 4,4′‐(ethyne‐1,2‐diyl)dipyridinium bis(squarate), C12H10N22+·2C4HO4?, and 4,4′‐(ethene‐1,2‐diyl)dipyridinium bis(squarate), C12H12N22+·2C4HO4?, are isomorphous and crystallize in space group P. The cocrystals contain linear hydrogen‐bonded molecular tape structures along the [120] direction. The squarate monoanions form a ten‐membered dimer linked by two intermolecular O—H?O hydrogen bonds. Each component molecule forms a segregated stack along the c axis. The bond lengths of the squarate monoanion indicate delocalization of the enolate anion. 相似文献
6.
Genivaldo Julio Perptuo Jan Janczak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):o165-o167
The crystal structure of the title compound, C4H12N+·C6H3N2O·H2O, is built up from tetramethylammonium cations, 2,5‐dinitrophenolate anions and water molecules. The nitro groups are almost coplanar with the aryl ring, which exhibits significant distortion from an ideal hexagonal form. The X‐ray geometry of the tetramethylammonium cation shows slight distortion from the tetrahedral symmetry predicted by molecular orbital calculations. The O—H⋯O hydrogen‐bonded water and 2,5‐dinitrophenolate units are related by an inversion center and form dimers. The 2,5‐dinitrophenolate anions, related by an inversion center and translation, are stacked to form a column along the [100] direction. 相似文献
7.
Brian W. Skelton A. Fiona Waters Claire R. Whitaker Allan H. White 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):m435-m438
Both of the title compounds, catena‐poly[[[tetraaquamagnesium(I)]‐μ‐4,4′‐bipyridine‐κ2N:N′] diiodide bis(4,4′‐bipyridine) solvate], {[Mg(C10H8N2)(H2O)4]I2·2C10H8N2}n, (I), and catena‐poly[[[μ‐4,4′‐bipyridine‐bis[diiodobis(propan‐1‐ol)strontium(I)]]‐di‐μ‐4,4′‐bipyridine‐κ4N:N′] bis(4,4′‐bipyridine) solvate], {[Sr2I4(C10H8N2)3(C3H8O)4]·2C10H8N2}n, (II), are one‐dimensional polymers which are single‐ and double‐stranded, respectively, the metal atoms being linked by the 4,4′‐bipyridine moieties. The Mg complex, (I), is [cis‐{(H2O)4Mg(N‐4,4′‐bipyridine‐N′)(2/2)}](∞|∞)I2·4,4′‐bipyridine and Mg has a six‐coordinate quasi‐octahedral coordination environment. The Sr complex, (II), is isomorphous with its previously defined Ba counterpart [Kepert, Waters & White (1996). Aust. J. Chem. 49 , 117–135], being [(propan‐1‐ol)2I2Sr(N‐4,4′‐bipyridine‐N′)(3/2)](∞|∞)·4,4′‐bipyridine, with the I atoms trans‐axial in a seven‐coordinate pentagonal–bipyramidal Sr environment. 相似文献
8.
Jing Zhang Xueliang Hou Weifeng Bu Lixin Wu Ling Ye Guangdi Yang Yuguo Fan 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o663-o664
The title compound (systematic name: 4,4′‐ethylenedipyridinium dimaleate), C12H12N22+·2C4H3O4?, is a 1:2 adduct of 1,2‐bis(4‐pyridyl)ethylene (BPE) and maleic acid (MA). The interaction between the two components in the molecular complex is due to intermolecular hydrogen bonding via an N+—H?O? hydrogen bond. 相似文献
9.
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
10.
Agata Biaoska Zbigniew Ciunik 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o450-o453
Crystals of brucinium 3,5‐dinitrobenzoate methanol solvate, C23H27N2O4+·C7H3N2O6−·CH3OH, (I), brucinium 3,5‐dinitrobenzoate methanol disolvate, C23H27N2O4+·C7H3N2O6−·2CH3OH, (II), and brucinium 3,5‐dinitrobenzoate trihydrate, C23H27N2O4+·C7H3N2O6−·3H2O, (III), were obtained from methanol [for (I) and (II)] or ethanol solutions [for (III)]. The brucinium cations and 3,5‐dinitrobenzoate anions are linked by ionic N—H+⋯O− hydrogen bonds. In the crystals of (I), (II) and (III), the brucinium cations exhibit different modes of packing, viz. corrugated ribbons, pillars and corrugated monolayer sheets, respectively. While in (III), the amide O atom of the brucinium cation participates in O—H⋯O hydrogen bonds, in which water molecules are the donors, in (I) and (II), the amide O atom of the brucinium cation is involved in weak C—H⋯O hydrogen bonds and other brucinium cations are the donors. 相似文献
11.
Yi‐Hang Wen Ye‐Yan Qin Jian Zhang Zhao‐Ji Li Jian‐Kai Cheng Yao Kang Yuan‐Gen Yao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m371-m372
The title compound, {[Cu(C10H8N2)(H2O)](C8H4O4)0.5·H2O}n, has been synthesized hydrothermally and characterized by single‐crystal X‐ray diffraction. The compound consists of nearly linear one‐dimensional chains of [Cu(4,4′‐bipy)(H2O)]nn+ cations (4,4′‐bipy is 4,4′‐bipyridyl), surrounded by isophthalate anions and free water molecules. Hydrogen‐bonding interactions involving cationic chains, isophthalate anions and free water molecules lead to the formation of a three‐dimensional network structure. 相似文献
12.
Miao Du Zhi‐Hui Zhang Yan‐Ping You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):o574-o576
Co‐crystallization of hemimellitic acid (benzene‐1,2,3‐tricarboxylic acid) dihydrate (H3HMA·2H2O) with 4,4′‐bipyridine (4,4′‐bpy) affords the 1:1 co‐crystal benzene‐1,2,3‐tricarboxylic acid–4,4′‐bipyridine (1/1), H3HMA·4,4′‐bpy or C9H6O6·C10H8N2. Strong O—H⋯O hydrogen bonds connect the acid molecules to form a one‐dimensional zigzag chain, around which the 4,4′‐bpy components are fixed as arms via O—H⋯N interactions, resulting in a ladder motif. Through weak C—H⋯O non‐covalent forces, the resulting acid layers are extended into a three‐dimensional pillar‐layered architecture supported by rod‐like 4,4′‐bpy components. The influence on hydrogen‐bonding models is also discussed, with the discovery of an unexpected interaction motif that does not follow the routine hydrogen‐bonded hierarchical rule in the construction of an acid–base co‐crystal. 相似文献
13.
Graham Smith Urs D. Wermuth Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o575-o581
The crystal structures of quinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate trihydrate, C9H8N+·C7H5O6S−·3H2O, (I), 8‐hydroxyquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate monohydrate, C9H8NO+·C7H5O6S−·H2O, (II), 8‐aminoquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate dihydrate, C9H9N2+·C7H5O6S−·2H2O, (III), and 2‐carboxyquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate quinolinium‐2‐carboxylate, C10H8NO2+·C7H5O6S−·C10H7NO2, (IV), four proton‐transfer compounds of 5‐sulfosalicylic acid with bicyclic heteroaromatic Lewis bases, reveal in each the presence of variously hydrogen‐bonded polymers. In only one of these compounds, viz. (II), is the protonated quinolinium group involved in a direct primary N+—H⋯O(sulfonate) hydrogen‐bonding interaction, while in the other hydrates, viz. (I) and (III), the water molecules participate in the primary intermediate interaction. The quinaldic acid (quinoline‐2‐carboxylic acid) adduct, (IV), exhibits cation–cation and anion–adduct hydrogen bonding but no direct formal heteromolecular interaction other than a number of weak cation–anion and cation–adduct π–π stacking associations. In all other compounds, secondary interactions give rise to network polymer structures. 相似文献
14.
Abdallah Khaoulana Idrissi Mohamed Saadi Mohamed Rafiq Elizabeth M. Holt 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):o604-o605
The solid‐state structure of the title compound, alternatively called 2‐aminoanilinium hydrogen phosphonate, C6H9N2+·H2PO3?, shows the monoprotonated diamine molecule to be multiply hydrogen bonded to HPO3H? anions. There is no inter‐phosphite hydrogen bonding, contrary to previous solid‐state observations of the species. 相似文献
15.
Yan‐Ping You Zhi‐Hui Zhang Miao Du 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):o33-o35
The combination of biphenyl‐4,4′‐dicarboxylic acid (H2bpa) and the bent dipyridyl base 2,5‐di‐4‐pyridyl‐1,3,4‐oxadiazole (4‐bpo) in a 1:1 molar ratio leads to the formation of the molecular cocrystal (H2bpa)·(4‐bpo) or C14H10O4·C12H8N4O. The asymmetric unit contains one‐half of an H2bpa unit lying across a centre of inversion and one‐half of a 4‐bpo molecule lying across a twofold rotation axis. Intermolecular O—H⋯N interactions connect the acid and base molecules to form a one‐dimensional zigzag chain. Through further weak C—H⋯O hydrogen bonds between adjacent chains, a two‐dimensional sheet‐like supramolecular network is afforded. As an extended analogue of terephthalic acid (H2tp), the backbone geometry of H2bpa has an evident influence on the hydrogen‐bonding pattern of the title cocrystal compared with that of (H2tp)·(4‐bpo). 相似文献
16.
Christopher Glidewell George Ferguson Alan J. Lough 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):855-858
The title compound, 4,4′‐bipyridinium ethane‐1,2‐diyl‐1,2‐diphosphonate dihydrate, is a hydrated salt, C10H10N22+·C2H6O6P22?·2H2O, in which the components are linked by extensive hydrogen bonding. The cations and anions lie on inversion centres and with the water molecules each form separate one‐component one‐dimensional chains along [100]: the anions and the water molecules form a two‐component two‐dimensional substructure, (001) sheets, while the cations and anions form a second two‐component two‐dimensional substructure, (011) sheets. All three components combine to form a three‐dimensional framework. 相似文献
17.
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
18.
Jan W. Bats Andreas Rivas Nass A. Stephen K. Hashmi 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):814-817
The crystal structure of the title compound, (2,2′‐bipyridyl‐κ2N,N′)(tetraallyl 3,3,3′,3′‐tetramethyl‐1,1′‐bicyclopropane‐1,1′,2,2′‐tetracarboxylato‐κ2C2,C2′)palladium(II), [Pd(C26H32O8)(C10H8N2)], is disordered above 194 K. A doubling of the unit cell is observed on cooling. The structure at 143 K contains two ordered molecules related by a pseudo‐translation vector of approximately (0.44,0.00,0.50) or a pseudo‐inversion center at approximately (0.22,0.00,0.25). Weak intermolecular C—H?O interactions are enhanced in the low‐temperature structure. 相似文献
19.
Konstantin V. Domasevitch Ishtvan Boldog 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o373-o376
4,4′‐Bipyrazolium [or 4‐(1H‐pyrazol‐4‐yl)pyrazolium] bromide monohydrate, C6H7N4+·Br−·H2O, and 4,4′‐bipyrazolium perchlorate monohydrate, C6H7N4+·ClO4−·H2O, have closely related layered structures involving tight stacks of antiparallel N—H⋯N hydrogen‐bonded polar bipyrazolium chains [N⋯N = 2.712 (3) and 2.742 (2) Å], which are crosslinked by hydrogen bonds with water molecules and counter‐anions. 相似文献
20.
Xin Yang Jiang Li Xin‐Hua Zhao Hai‐Wen Wang Yong‐Kui Shan 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):m171-m173
The title compound, (C10H10N2)2[Fe(C2O4)2(H2O)2](C2HO4)2, appears to be a modular associate consisting of a complex anion containing bivalent Fe as the central atom, a bridging hydrogen oxalate anion and a diprotonated 4,4‐bipyridine acting as the counter‐cation. The FeII ion in the complex anion occupies a position on a centre of inversion. Its coordination environment is formed by six O atoms from two bidentate oxalate ligands, forming a basal plane, and two water molecules approximately perpendicular to the plane, representing a distorted octahedral geometry. These three kinds of ions are connected by strong hydrogen bonds, with donor–acceptor distances (N⋯O and O⋯O) lying in the range 2.54–2.98 Å, and π–π stacking interactions between the 4,4′‐bipyridinium cations, thus forming a three‐dimensional supramolecular structure. 相似文献