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1.
Paul V. Bernhardt 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):744-746
The title pendent‐arm macrocyclic hexaamine ligand binds stereospecifically in a hexadentate manner, and we report here its isomorphous NiII and ZnII complexes (both as perchlorate salts), namely (cis‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine‐κ6N)nickel(II) diperchlorate, [Ni(C12H30N6)](ClO4)2, and (cis‐6,13‐dimethyl‐1,4,8,11‐tetraaza‐cyclotetradecane‐6,13‐diamine‐κ6N)zinc(II) diperchlorate, [Zn(C12H30N6)](ClO4)2. Distortion of the N—M—N valence angles from their ideal octahedral values becomes more pronounced with increasing metal‐ion size and the present results are compared with other structures of this ligand. 相似文献
2.
Hong‐Ping Xiao Xin‐Hua Li Ji‐Xin Yuan Mao‐Lin Hu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m63-m64
In the title complex, [Cu2(C10H2O8)(C10H8N2)2]n, the CuII cation has a four‐coordinated environment, completed by two carboxyl O atoms belonging to two 1,2,4,5‐benzenetetracarboxylate anions (TCB4−) and two N atoms from one 2,2′‐bipyridine (2,2′‐bipy) ligand, forming a distorted square‐planar geometry. The [Cu(2,2′‐bipy)]2+ moieties are bridged by TCB4− anions, which lie about inversion centres, forming an infinite one‐dimensional coordination polymer with a double‐chain structure along the a axis. A two‐dimensional network structure is formed via a face‐to‐face π–π interaction between the 2,2′‐bipy rings belonging to two adjacent double chains, at a distance of approximately 3.56 Å. 相似文献
3.
Margarita Ortiz‐Marciales Melvin De Jesús Eduvigis Gonzlez Raphael G. Raptis Peter Baran 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o173-o175
The reaction of (S)‐α,α‐diphenylprolinol with an excess of borane–tetrahydrofuran complex yields a stable crystalline material with the composition C34H38B2N2O2, which features a borane adduct of a spirocyclic structure with two oxazaborolidine rings joined by a central tetrahedral B atom. This dimeric oxazaborolidine complex, viz. 3,3,3′,3′‐tetraphenyl‐1,1′‐spirobi(3a,4,5,6‐tetrahydro‐3H‐pyrrolo[1,2‐c][1,3,2]oxazaborole)–7‐borane, is the dominant product under various reaction conditions; its crystal structure is consistent with 11B, 1H and 13C NMR and IR analyses. 相似文献
4.
Ana María Atria Ricardo Baggio María Teresa Garland Piedad Corts 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m311-m314
The three title compounds, namely 4‐phenyl‐1H‐imidazolium hexa‐μ2‐chloro‐chloro‐μ4‐oxo‐tris(4‐phenyl‐1H‐imidazole‐κN1)tetracopper(II) monohydrate, (C9H9N2)[Cu4Cl7O(C9H8N2)3]·H2O, hexa‐μ2‐chloro‐μ4‐oxo‐tetrakis(pyridine N‐oxide‐κO)tetracopper(II), [Cu4Cl6O(C5H5NO)4], and hexa‐μ2‐chloro‐tetrakis(2‐methyl‐1H‐imidazole‐κN1)‐μ4‐oxo‐tetracopper(II) methanol trisolvate, [Cu4Cl6O(C4H6N2)4]·3CH4O, exhibit the same Cu4OCl6 framework, where the O atom at the centre of an almost regular tetrahedron bridges four copper cations at the corners. This group is in turn surrounded by a Cl6 octahedron, leading to a rather globular species. This special arrangement of the CuII cations results in a diversity of magnetic behaviours. 相似文献
5.
Jonathan D. Woodward Rnal Backov Khalil A. Abboud Daniel R. Talham 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1027-1029
The one‐dimensional chain catena‐poly[[aqua(2,2′:6′,2′′‐terpyridyl‐κ3N)nickel(II)]‐μ‐cyano‐κ2N:C‐[bis(cyano‐κC)nickelate(II)]‐μ‐cyano‐κ2C:N], [Ni(terpy)(H2O)]‐trans‐[Ni‐μ‐(CN)2‐(CN)2]n or [Ni2(CN)4(C15H11N3)(H2O)], consists of infinite linear chains along the crystallographic [10] direction. The chains are composed of two distinct types of nickel ions, paramagnetic octahedral [Ni(terpy)(H2O)]2+ cations (with twofold crystallographic symmetry) and diamagnetic planar [Ni(CN)4]2? anions (with the Ni atom on an inversion center). The [Ni(CN)4]2? units act as bidentate ligands bridging through two trans cyano groups thus giving rise to a new example of a trans–trans chain among planar tetracyanonickelate complexes. The coordination geometry of the planar nickel unit is typical of slightly distorted octahedral nickel(II) complexes, but for the [Ni(CN)4]2? units, the geometry deviates from a planar configuration due to steric interactions with the terpyridine ligands. 相似文献
6.
Kazumasa Ueda Toyonari Sugimoto Toshiji Tada Kei‐ichiro Nishimura Tomoyuki Mochida 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):400-402
In the tetramethylarsonium salt of 2,5‐dichloro‐7,7,8,8‐tetracyanoquinodimethanide [systematic name: tetramethylarsonium 2,2′‐(2,5‐dichlorocyclohexa‐2,5‐diene‐1,4‐diylidene)bis(propanedinitrile)], C4H12As+·C12H2Cl2N4? or [As(CH3)4](C12H2Cl2N4), the cation lies disordered about a twofold axis and the radical ion lies about an inversion center forming a uniform [interplanar distance 3.35 (2) Å] and one‐dimensional stacking without any slip. The electrical conductivity of the single crystal at room temperature was less than 10?9 S cm?1, and the temperature dependence of paramagnetic susceptibility obeyed a one‐dimensional antiferromagnetic Heisenberg model with a spin‐exchange integral of 83 K in the temperature range 1.8–320.0 K. 相似文献
7.
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
8.
Miguel Harvey Sergio Baggio Silvia Russi Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):m171-m174
The structures of two new sulfate complexes are reported, namely di‐μ‐sulfato‐κ3O,O′:O′′‐bis{aqua[2,4,6‐tris(2‐pyridyl)‐1,3,5‐triazine‐κ3N1,N2,N6]cadmium(II)} tetrahydrate, [Cd2(SO4)2(C16H12N6)2(H2O)2]·4H2O, and di‐μ‐sulfato‐κ2O:O′‐bis[(2,2′:6′,2′′‐terpyridine‐κ3N1,N1′,N1′′)zinc(II)] dihydrate, [Cd2(SO4)2(C15H11N3)2]·2H2O, the former being the first report of a Cd(tpt) complex [tpt is 2,4,6‐tris(2‐pyridyl)‐1,3,5‐triazine]. Both compounds crystallize in the space group P and form centrosymmetric dimeric structures. In the cadmium complex, the metal center is heptacoordinated in the form of a pentagonal bipyramid, while in the zinc complex, the metal ion is in a fivefold environment, the coordination geometry being intermediate between square pyramidal and trigonal bipyramidal. Packing of the dimers leads to the formation of planar structures strongly linked by hydrogen bonding. 相似文献
9.
M. Enriqueta Díaz de Vivar Sergio Baggio María Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m123-m125
catena‐Poly[[[tetraaquazinc(II)]‐μ‐4,4′‐bipyridine‐κ2N:N′] [[μ‐thiosulfato‐κ2O:S‐bis[(thiosulfato‐κS)zinc(II)]]‐di‐μ‐4,4′‐pyridine‐κ4N:N′] dihydrate], {[Zn(C10H8N2)(H2O)4][Zn2(S2O3)3(C10H8N2)2]·2H2O}n, is a polymeric zinc complex built up from thiosulfate‐containing anionic chains, where the Zn atom is tetrahedrally coordinated, and aqua‐containing cationic chains incorporating octahedrally coordinated Zn. In each type of chain, the 4,4′‐bipyridine units act as spacers, and the chains run along three non‐intersecting almost orthogonal directions in space. The profusion of hydrogen‐bond donors (all the H atoms of the water molecules) and acceptors (the thiosulfate O and S atoms) generates a very complex hydrogen‐bonding scheme. 相似文献
10.
Yoshiko Okada Shinobu Kishi Yasuko Shishido Masako Kato 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):m171-m173
Dichloro(4,4′‐dipentyl‐2,2′‐bipyridine‐κ2N,N′)platinum(II), [PtCl2(C20H28N2)], adopts a discrete π–π stacking structure, where the alkyl chains are located in a random manner. In contrast, dichloro(4,4′‐diheptyl‐2,2′‐bipyridine‐κ2N,N′)platinum(II), [PtCl2(C24H36N2)], forms a layer structure comprised of alkyl chain layers and paired coordination sites, as observed for analogous complexes with longer alkyl chains. 相似文献
11.
(Borohydrido)(18‐crown‐6)potassium and (borohydrido)(dibenzo‐18‐crown‐6)(tetrahydrofuran)potassium
Claude Villiers Michel Ephritikhine Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m275-m277
In the two compounds (borohydrido)(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)potassium, [K(BH4)(C12H24O6)], (I), and (borohydrido)(1,4,7,10,13,16‐hexaoxa‐2,3:11,12‐dibenzocyclooctadeca‐2,11‐diene‐κ6O)(tetrahydrofuran)potassium, [K(BH4)(C4H8O)(C20H24O6)], (II), the K atom is bound to the six O atoms of the crown ether and to a tridentate borohydride group, with further coordination to a tetrahydrofuran molecule in (II). The alkali metal ion environment is thus distorted hexagonal–pyramidal in (I) and bipyramidal in (II). 相似文献
12.
Tadeusz Lis Petra Stachov Duan Valigura Jan Moncol 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m375-m377
The title compound {systematic name: tetrakis(μ‐3,5‐dinitrobenzoato‐κ2O:O′)bis[(3,7‐dihydro‐1,3,7‐trimethyl‐1H‐purine‐2,6‐dione‐κO2)copper(II)]}, [Cu2(C7H3N2O6)4(C8H10N4O2)2], consists of paddle‐wheel dimeric tetrakis(μ‐3,5‐dinitrobenzoato‐κ2O:O′)dicopper(II) units with O‐coordinated caffeine molecules in both apical positions. The entire dimeric molecule lies on a tetragonal inversion axis, and thus one nitrobenzoate anion with one Cu atom in a special position belong to the independent part of the molecule. The caffeine ligand bonded to the Cu atom is disordered on a local twofold non‐crystallographic axis coincident with the axis. A π–π stacking interaction is observed between the caffeine rings and adjacent symmetry‐related benzene rings of the 3,5‐dinitrobenzoate anions. 相似文献
13.
Li Feng Zhi‐Ming Li Yong‐Sheng Tan Min‐Qin Chen Lin‐Hong Weng Feng‐Gang Tao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o473-o474
The title compound, dimethyl 10b′‐(4‐fluorostyryl)‐8′,9′‐dimethoxy‐4‐nitro‐5′,6′‐dihydrospiro[9H‐fluorene‐9,1′(10b′H)‐pyrrolo[2,1‐a]isoquinoline]‐2′,3′‐dicarboxylate, C38H31FN2O8, is a new photochromic tetrahydroindolizine. One of the C—C bonds at the spiro C atom is very long [1.630 (2) Å], thus explaining the photochromic behaviour. 相似文献
14.
Yasunori Muranishi Yue Wang Mamiko Odoko Nobuo Okabe 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m307-m310
In the three title complexes, namely (2,2′‐biquinoline‐κ2N,N′)dichloropalladium(II), [PdCl2(C18H12N2)], (I), and the corresponding copper(II), [CuCl2(C18H12N2)], (II), and zinc(II) complexes, [ZnCl2(C18H12N2)], (III), each metal atom is four‐coordinate and bonded by two N atoms of a 2,2′‐biquinoline molecule and two Cl atoms. The PdII atom has a distorted cis‐square‐planar coordination geometry, whereas the CuII and ZnII atoms both have a distorted tetrahedral geometry. The dihedral angles between the N—M—N and Cl—M—Cl planes are 14.53 (13), 65.42 (15) and 85.19 (9)° for (I), (II) and (III), respectively. The structure of (II) has twofold imposed symmetry. 相似文献
15.
Cengiz Arici Filiz Ercan Raif Kurtaran Orhan Atakol 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):812-814
In the title compounds, {2,2′‐[2,2‐dimethyl‐1,3‐propanediylbis(nitrilomethylidyne)]diphenolato‐κ4N,N′,O,O′}nickel(II), [Ni(C19H20N2O2)], and {2,2′‐[2,2‐dimethyl‐1,3‐propanediylbis(nitrilomethylidyne)]diphenolato‐κ4N,N′,O,O′}copper(II), [Cu(C19H20N2O2)], the NiII and CuII atoms are coordinated by two iminic N and two phenolic O atoms of the N,N′‐bis(salicylidene)‐2,2‐dimethyl‐1,3‐propanediaminate (SALPD2?, C17H16N2O22?) ligand. The geometry of the coordination sphere is planar in the case of the NiII complex and distorted towards tetrahedral for the CuII complex. Both complexes have a cis configuration imposed by the chelate ligand. The dihedral angles between the N/Ni/O and N/Cu/O coordination planes are 17.20 (6) and 35.13 (7)°, respectively. 相似文献
16.
W. Mark Barnett Russell G. Baughman Paula M. Secondo Charles J. Hermansen 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o565-o567
The crystal structures of the title compounds, alternatively called 2,2′‐(2,2′‐biimidazole‐1,1′‐diyl)diacetohydrazide monohydrate, C10H14N8O2·H2O, (I), and 3,3′‐(2,2′‐biimidazole‐1,1′‐diyl)dipropionohydrazide, C12H18N8O2, (II), respectively, have been determined. The molecules consist of half‐molecule asymmetric units related by a twofold rotation in (I) and by a center of inversion in (II). The imidazole rings of both molecules crystallize in a nearly coplanar fashion [dihedral angles of 5.91 (3) and 0.0 (1)° for (I) and (II), respectively]. Both planar hydrazinocarbonylalkyl substituents are essentially planar and assume the E orientation. 相似文献
17.
Neil M. Boag Kathleen M. Coward Anthony C. Jones Martyn E. Pemble J. Robin Thompson 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1438-1439
The hydrolysis product [Ga2(C3H7)4(OH)2]·C14H32N4, derived from the tetrakis(triisopropylgallium)–1,4,8,11‐tetramethyl‐1,4,8,11‐tetraazacyclotetradecane (1/1) adduct, consists of a centrosymmetric [iPr2Ga(μ‐OH)]2 unit hydrogen bonded through the hydroxyl group to a nitrogen on an adjacent centrosymmetric 1,4,8,11‐tetramethyl‐1,4,8,11‐tetraazacyclotetradecane molecule, resulting in the generation of a molecular chain through the crystal. 相似文献
18.
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
19.
Urs D. Wermuth Jonathan M. White Graham Smith 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o402-o404
The crystal structure of the proton‐transfer compound of 1,1′‐biphenyl‐4,4′‐diamine (benzidine) with 3,5‐dinitrosalicylic acid, viz. 1,1′‐biphenyl‐4,4′‐diaminium bis(4′‐amino‐1,1′‐biphenyl‐4‐aminium) tetrakis(2‐carboxy‐4,6‐dinitrophenolate) ethanol disolvate, C12H14N22+·2C12H13N2+·4C7H3N2O7−·2C2H6O, shows the presence of both diprotonated and monoprotonated benzidine cations. The diprotonated species lie across crystallographic inversion centres in the unit cell, while the monoprotonated species occupy general sites. All amine H atoms participate in hydrogen bonding with carboxyl, phenolate and nitro O‐atom acceptors of the salicylate anions, which also participate in hydrogen bonding with the disordered ethanol solvent molecules. Significant inter‐ring anion–anion and anion–monocation π–π interactions are also present, giving a three‐dimensional framework structure. 相似文献
20.
Lionel Moisan Thierry Le Borgne Pierre Thury Michel Ephritikhine 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):m98-m101
In bis[1,1′,2,2′,3,3′,4,4′‐octamethyl‐5‐(2‐pyridinio)‐5′‐(2‐pyridyl)ferrocene] di‐μ3‐chloro‐hexadeca‐μ2‐chloro‐hexachlorodi‐μ4‐oxo‐di‐μ3‐oxo‐bis[(η5,κN)‐1,2,3,4‐tetramethyl‐5‐(2‐pyridyl)cyclopentadienyl]octauranium(IV) dichloromethane tetrasolvate, [Fe(C14H17N)(C14H16N)]2[U8Cl24O4(C14H16N)2]·4CH2Cl2, (I), two protonated Fe(cp*py)2 units [cp*py is tetramethyl‐5‐(2‐pyridyl)cyclopentadiene] form an ion pair with the dianionic centrosymmetric cluster U8Cl24O4(cp*py)2. The latter is the highest nuclearity assemblage in the chemistry of uranium (non‐uranyl) compounds reported to date. 相似文献