共查询到20条相似文献,搜索用时 789 毫秒
1.
Eric P. Kelson Proma P. Phengsy Atta M. Arif 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):517-519
The aldehyde moiety in the title complex, chloro(2‐pyridinecarboxaldehyde‐N,O)(2,2′:6′,2′′‐terpyridine‐κ3N)ruthenium(II)–chloro(2‐pyridinecarboxylic acid‐N,O)(2,2′:6′,2′′‐terpyridine‐κ3N)ruthenium(II)–perchlorate–chloroform–water (1.8/0.2/2/1/1), [RuCl(C6H5NO)(C15H11N3)]1.8[RuCl(C6H5NO2)(C15H11N3)]0.2(ClO4)2·CHCl3·H2O, is a structural model of substrate coordination to a transfer hydrogenation catalyst. The title complex features two independent RuII complex cations that display very similar distorted octahedral coordination provided by the three N atoms of the 2,2′:6′,2′′‐terpyridine ligand, the N and O atoms of the 2‐pyridinecarboxaldehyde (pyCHO) ligand and a chloride ligand. One of the cation sites is disordered such that the aldehyde group is replaced by a 20 (1)% contribution from a carboxylic acid group (aldehyde H replaced by carboxyl O—H). Notable dimensions in the non‐disordered complex cation are Ru—N 2.034 (2) Å and Ru—O 2.079 (2) Å to the pyCHO ligand and O—C 1.239 (4) Å for the pyCHO carbonyl group. 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.
Hui‐Fen Qian Wei Huang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m349-m351
The title compound, [Cu(ClO4)(C5H6N2)2(C12H12N2)]ClO4, was prepared by in situ partial ligand substitution between 3‐aminopyridine and 4,4′‐dimethyl‐2,2′‐bipyridine at room temperature. The central copper(II) ion is five‐coordinated by one bidentate 4,4′‐dimethyl‐2,2′‐bipyridine molecule, two monodentate pyridine‐coordinated 3‐aminopyridine molecules and one apical O atom from the perchlorate counter‐ion. Intermolecular N—H⋯O and C—H⋯O hydrogen‐bonding interactions form a hydrogen‐bond‐sustained network. 相似文献
4.
Burkhard Schulz Julia Bricks Yan‐Qin Li Ute Resch‐Genger Günter Reck 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):o402-o404
1‐Methyl‐2‐[4‐phenyl‐6‐(pyridinium‐2‐yl)pyridin‐2‐yl]pyridinium diperchlorate, C22H19N32+·2ClO4−, (I), and 2‐[4‐(methoxyphenyl)‐2,2′‐bipyridin‐6‐yl]‐1‐methylpyridinium iodide, C23H20N3O+·I−, (II), both crystallize in the monoclinic space group P21/c. In contrast with the monocharged molecule of (II), the doubly charged molecule of (I) contains an additional protonated pyridine ring. One of the two perchlorate counter‐anions of (I) interacts with the cation of (I) via an N—H⋯O hydrogen bond. In (II), two molecules related by a centre of symmetry are connected by weak π–π interactions, forming dimers in the crystal structure. 相似文献
5.
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
6.
Vratislav Langer Miroslav Ko Dalma Gyepesov Juraj Kronek Jozef Lusto Mariana Sldkovi
ov 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(10):o602-o606
Crystal structures are reported for three isomeric compounds, namely 2‐(2‐hydroxyphenyl)‐2‐oxazoline, (I), 2‐(3‐hydroxyphenyl)‐2‐oxazoline, (II), and 2‐(4‐hydroxyphenyl)‐2‐oxazoline, (III), all C9H9NO2 [systematic names: 2‐(4,5‐dihydro‐1,3‐oxazol‐2‐yl)phenol, (I), 3‐(4,5‐dihydro‐1,3‐oxazol‐2‐yl)phenol, (II), and 4‐(4,5‐dihydro‐1,3‐oxazol‐2‐yl)phenol, (III)]. In these compounds, the deviation from coplanarity of the oxazoline and benzene rings is dependent on the position of the hydroxy group on the benzene ring. The coplanar arrangement in (I) is stabilized by a strong intramolecular O—H⋯N hydrogen bond. Surprisingly, the 2‐oxazoline ring in molecule B of (II) adopts a 3T4 (C2TC3) conformation, while the 2‐oxazoline ring in molecule A, as well as that in (I) and (III), is nearly planar, as expected. Tetramers of molecules of (II) are formed and they are bound together via weak C—H⋯N hydrogen bonds. In (III), strong intermolecular O—H⋯N hydrogen bonds and weak intramolecular C—H⋯O hydrogen bonds lead to the formation of an infinite chain of molecules perpendicular to the b direction. This paper also reports a theoretical investigation of hydrogen bonds, based on density functional theory (DFT) employing periodic boundary conditions. 相似文献
7.
Richard J. Bowen Manuel A. Fernandes Patricia W. Gitari Marcus Layh 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o113-o114
In the crystal structure of 2,2′‐bipyridinium(1+) bromide monohydrate, C10H9N2+·Br−·H2O, the cation has a cisoid conformation with an intramolecular N—H⋯N hydrogen bond. The cation also forms an N—H⋯O hydrogen bond to an adjacent water molecule, which in turn forms O—H⋯Br− hydrogen bonds to adjacent Br− anions. In this way, a chain is formed extending along the b axis. Additional interactions (C—H⋯Br− and π–π) serve to stabilize the structure further. 相似文献
8.
Delphine Firley Bernard Fraisse Fatima Zouhiri Anne Spasojevi‐de Bir Didier Desmaële Jean D'Angelo Nour Eddine Ghermani 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):o154-o157
Both 7‐carboxylato‐8‐hydroxy‐2‐methylquinolinium monohydrate, C11H9NO3·H2O, (I), and 7‐carboxy‐8‐hydroxy‐2‐methylquinolinium chloride monohydrate, C11H10NO3+·Cl−·H2O, (II), crystallize in the centrosymmetric P space group. Both compounds display an intramolecular O—H⋯O hydrogen bond involving the hydroxy group; this hydrogen bond is stronger in (I) due to its zwitterionic character [O⋯O = 2.4449 (11) Å in (I) and 2.5881 (12) Å in (II)]. In both crystal structures, the HN+ group participates in the stabilization of the structure via intermolecular hydrogen bonds with water molecules [N⋯O = 2.7450 (12) Å in (I) and 2.8025 (14) Å in (II)]. In compound (II), a hydrogen‐bond network connects the Cl− anion to the carboxylic acid group [Cl⋯O = 2.9641 (11) Å] and to two water molecules [Cl⋯O = 3.1485 (10) and 3.2744 (10) Å]. 相似文献
9.
Jaromír Marek Kamila Lunerov Jaromír Touek Vclav Suchý Radek Marek 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o386-o389
The crystal structures of 2′,4′‐dihydroxy‐3‐methoxy‐α,β‐dihydrochalcone, C16H16O4, and 2′,4‐dihydroxy‐α,β‐dihydrochalcone, C15H14O3, have been determined. In both compounds, the structure consists of two nearly planar six‐membered aromatic rings connected by a propanal chain, which is bent in the methoxy compound and almost straight in the other compound. In the crystal structures, the molecular units of both compounds are linked by O—H⋯O hydrogen bonds to form infinite one‐dimensional chains. Hydrogen bonds and C—H⋯O contacts in the crystal structures were studied by topological analysis of charge density based on Hartree–Fock calculations. Almost all of the investigated C—H⋯O contacts should be characterized as weak hydrogen bonds. 相似文献
10.
Jin Yang Jian‐Fang Ma Ying‐Ying Liu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):m101-m103
The title complex, [μ‐2,2′‐(1,4‐butanediyl)di‐1H‐benzimidazole‐κ2N3:N3′]bis{[2,2′‐(1,4‐butanediyl)di‐1H‐benzimidazole‐κ2N3,N3′](nitrato‐κO)cobalt(II)} dinitrate ethanol disolvate, [Co2(NO3)2(C18H18N4)3](NO3)2·2C2H6O, was obtained from self‐assembly of cobalt(II) nitrate with 2,2′‐(1,4‐butanediyl)dibenzimidazole (L). The complex molecule lies about an inversion centre and the flexible L ligands act in both bridging and chelating modes to form a dinuclear complex with unanticipated nine‐membered chelate rings. The unique uncoordinated nitrate anion is linked to the cation by pairs of N—H⋯O hydrogen bonds, which determine the overall cation conformation. Cation–anion sets are then linked by a further N—H⋯O hydrogen bond to generate a chain along [010]. Chains are linked by C—H⋯O hydrogen bonds to form sheets in the (100) plane. 相似文献
11.
Christina S. Angle Antonio G. DiPasquale Arnold L. Rheingold Linda H. Doerrer 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m340-m342
Crystallization of chloro(2,2′:6′,2′′‐terpyridine)platinum(II) chloride from dimethyl sulfoxide yields a red polymorph, [PtCl(C15H11N3)]Cl·C2H6OS, (I), which exhibits stacking along the a axis through pairs of Pt⋯Pt(−x, −y, −z) interactions of 3.3155 (8) Å. The cations are further associated through close Pt⋯Pt(1 − x, −y, −z) distances of 3.4360 (8) Å. Recrystallization from water gives a merohedrally twinned yellow–orange dihydrate form, [PtCl(C15H11N3)]Cl·2H2O, (II), with pairwise short Pt⋯Pt(1 − x, 2 − y, −z) contacts of 3.3903 (5) Å but no long‐range stacking through the crystals. Interpair Pt⋯Pt(−x, 2 − y, −z) distances between cation pairs in the hydrate are 4.3269 (5) Å. 相似文献
12.
Xin‐Yi Cao Jian Zhang Yao Kang Jian‐Kai Cheng Zhao‐Ji Li Xiao‐Qin Wang Yi‐Hang Wen Yuan‐Gen Yao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m350-m352
In the title compound, {[Zn(C8H4O5)(C12H8N2)]·H2O}n or {[Zn(OH‐BDC)(phen)]·H2O}n (where OH‐H2BDC is 5‐hydroxyisophthalic acid and phen is 1,10‐phenanthroline), the Zn atoms are coordinated by two N atoms from the phen ligands and by four O atoms from hydroxyisophthalate ligands in a highly distorted octahedral geometry, with Zn—O distances in the range 2.042 (4)–2.085 (5) Å and Zn—N distances of 2.133 (5) and 2.137 (5) Å. The {[Zn(OH‐BDC)(phen)]·H2O}n infinite zigzag polymer forms a helical chain of [Zn2(OH‐BDC)2]n units. Face‐to‐face π–π interactions (3.60–3.75 Å) occur between two phen rings belonging to the same helical chain. Consolidation of the packing structure is achieved by O—H⋯O hydrogen‐bonding interactions between the carboxylate O atoms, the hydroxyl group and the water molecule, forming two‐dimensional sheets. 相似文献
13.
R. Malathi S. S. Rajan Geetha Gopalakrishnan G. Suresh 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o681-o682
The title compound, methyl (2aS,3R,5R,5aS,6S,6aS,8R,9aS,10aR,10bR,10cS)‐8‐(3‐furyl)‐2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c‐dodecahydro‐3‐hydroxy‐2a,5a,6a,7‐tetramethyl‐5‐(3‐methylbut‐2‐enoyloxy)‐2H,3H‐cyclopenta[4′,5′]furo[2′,3′:6,5]benzo[cd]isobenzofuran‐6‐acetate, C32H42O8, was isolated from uncrushed green leaves of Azadirachta indica A. Juss (neem) and has been found to possess antifeedant activity against Spodptera litura. The conformations of the functional groups are similar to those of 3‐desacetylsalannin, which was isolated from neem kernels. The molecules are linked into chains by intermolecular O—H?O hydrogen bonds. 相似文献
14.
Pascale Lemoine Karima Bendada Bernard Viossat 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m489-m491
The asymmetric unit of the title compound, [Zn(C7H5O3)2(C10H8N2)], contains one monomeric zinc complex. The Zn atom is coordinated to one 2,2′‐bipyridyl ligand via both N atoms and to two salicylate anions (Hsal−) in a bidentate chelating manner involving carboxylate O‐atom coordination. The complex exhibits a distorted octahedral geometry about the ZnII atom, with the `apical' positions occupied by one of the two N atoms of the bipyridyl ligand and an O atom from one Hsal− ligand; the Zn atom is 0.168 (1) Å out of the `basal' plane. Two intramolecular six‐membered hydrogen‐bonded rings are present, generated from interactions between the carboxyl and hydroxyl groups of the salicylate ligands. The crystal packing is governed by weak C—H⋯O and C—H⋯π interactions. 相似文献
15.
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
16.
Mao‐Lin Hu Xiao‐Qing Cai Jiu‐Xi Chen 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m403-m405
In the polymeric title compound, [CuCl2(C6H6N4)]n, each CuII ion is five‐coordinated by four basal atoms (two N atoms from a 2,2′‐biimidazole molecule and two Cl− anions) and one axial Cl− anion, in a distorted square‐pyramidal coordination geometry. Cl− anions bridge the {Cu(C6H6N4)Cl} units into one‐dimensional linear chains, which are reinforced by π–π interactions. Adjacent linear chains are linked by N—H⋯Cl hydrogen bonds, resulting in a grid layer. The hydrogen‐bonding pattern can be described in graph‐set notation as C(9)R(9)R(14). This study extends our knowledge of the multifunctional properties of the 2,2′‐biimidazole ligand and of the coordination stereochemistry of copper(II). 相似文献
17.
Takeo Fukunaga Setsuo Kashino Hiroyuki Ishida 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o718-o722
Tartronic acid forms a hydrogen‐bonded complex, C5H5NO·C3H4O5, (I), with 2‐pyridone, while it forms acid salts, namely 3‐hydroxypyridinium hydrogen tartronate, (II), and 4‐hydroxypyridinium hydrogen tartronate, (III), both C5H6NO+·C3H3O5−, with 3‐hydroxypyridine and 4‐hydroxypyridine, respectively. In (I), the pyridone molecules and the acid molecules form R(8) and R(10) hydrogen‐bonded rings, respectively, around the inversion centres. In (II) and (III), the cations and anions are linked by N—H⋯O and O—H⋯O hydrogen bonds to form a hydrogen‐bonded chain. In each of (I), (II) and (III), an intermolecular hydrogen bond is formed between a carboxyl group and the hydroxyl group attached to the central C atom, and in (I), the hydroxyl group participates in an intramolecular hydrogen bond with a carbonyl group. No intermolecular hydrogen bond is formed between the carboxyl groups in (I), or between the carboxyl and carboxylate groups in (II) and (III). 相似文献
18.
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
19.
Jaromír Marek Pavel Kopel Zdenk Trvní
ek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m558-m560
In the crystal structure of the title compound, [N,N′‐bis(3‐aminopropyl)ethylenediamine‐κ4N,N′,N′′,N′′′][1,3,5‐triazine‐2,4,6(1H,3H,5H)‐trithionato(2−)‐κ2N,S]zinc(II) ethanol solvate, [Zn(C8H22N4)2(C3HN3S3)]·C2H6O, the ZnII atom is octahedrally coordinated by four N atoms [Zn—N = 2.104 (2)–2.203 (2) Å] of a tetradentate N‐donor N,N′‐bis(3‐aminopropyl)ethylenediamine (bapen) ligand and by two S and N atoms [Zn—S = 2.5700 (7) Å and Zn—N = 2.313 (2) Å] of a trithiocyanurate(2−) (ttcH2−) dianion bonded as a bidentate ligand in a cis configuration. The crystal structure of the compound is stabilized by a network of hydrogen bonds. 相似文献
20.
Johny Wehbe Valrie Rolland Jean Martinez Marc Rolland 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o473-o475
The crystal and molecular structure of 1‐tert‐butyl 4‐ethyl (2′R,3′R,5′R,2S,3S)‐3‐bromomethyl‐3‐hydroxy‐2‐[(2′‐hydroxy‐2′,6′,6′‐trimethylbicyclo[3.1.1]hept‐3′‐ylidene)amino]succinate, C21H34BrNO6, is presented. This compound is an intermediate in the new synthetic route to β‐substituted β‐hydroxyaspartates, which are blockers of glutamate transport. 相似文献