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1.
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
2.
Georgina M. Rosair Dilip Kumar Dey Brajagopal Samanta Samiran Mitra 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m266-m267
The structure of the title dimethyltin(IV) complex, [2‐(5‐bromo‐2‐oxidobenzylideneamino)benzoato‐κ3O,N,O′]dimethyltin(IV), [Sn(CH3)2(C14H8BrNO3)], features centrosymmetric dimers disposed about a central Sn2O2 core. Each Sn centre has seven‐coordinate pentagonal–bipyramidal geometry, taking into account two moderately long Sn—O contacts about an inversion centre [2.679 (4) and 2.981 (4) Å]. The methyl groups are in an axial orientation. 相似文献
3.
Fangfang Jian Ying Wang Lude Lu Xujie Yang Xin Wang Suchada Chantrapromma Hoong‐Kun Fun Ibrahim Abdul Razak 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):714-716
The crystal structures of tris(2‐methylquinolin‐8‐olato‐N,O)iron(III), [Fe(C10H8NO)3], (I), and aquabis(2‐methylquinolin‐8‐olato‐N,O)copper(II), [Cu(C10H8NO)2(H2O)], (II), have been determined. Compound (I) has a distorted octahedral configuration, in which the central Fe atom is coordinated by three N atoms and three O atoms from three 2‐methylquinolin‐8‐olate ligands. The three Fe—O bond distances are in the range 1.934 (2)–1.947 (2) Å, while the three Fe—N bond distances range from 2.204 (2) to 2.405 (2) Å. In compound (II), the central CuII atom and H2O group lie on the crystallographic twofold axis and the coordination geometry of the CuII atom is close to trigonal bipyramidal, with the three O atoms in the basal plane and the two N atoms in apical positions. The Cu—N bond length is 2.018 (5) Å. The Cu—O bond length in the basal positions is 1.991 (4) Å, while the Cu—O bond length in the apical position is 2.273 (6) Å. There is an intermolecular OW—H?O hydrogen bond which links the molecules into a linear chain along the b axis. 相似文献
4.
Xia Li Zhuo‐Yong Zhang Dao‐Yong Wang Hai‐Bin Song Ying‐Quan Zou 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):m81-m83
The title compound, [Dy2(C8H7O2)6(C12H8N2)2], forms binuclear complexes, viz. di‐μ‐4‐methylbenzoato‐κ4O:O′‐bis[bis(4‐methylbenzoato‐κ2O,O′)(1,10‐phenanthroline‐κ2N,N′)dysprosium(III)] tetra‐μ‐4‐methylbenzoato‐κ8O:O′‐bis[(4‐methylbenzoato‐κ2O,O′)(1,10‐phenanthroline‐κ2N,N′)dysprosium(III)]. There are two independent binuclear complexes in the asymmetric unit, both of which are centrosymmetric. In one, the DyIII ions are linked by two bridging 4‐methylbenzoate groups, while in the other, the DyIII ions are linked by four bridging 4‐methylbenzoate groups. The remaining 4‐methylbenzoate groups and 1,10‐phenanthroline units coordinate to just one metal ion in bidentate modes. 相似文献
5.
Necmi Dege Hasan Ibudak Elif Adyaman 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):m13-m15
In the crystal structure of the title compound [systematic name: diaquabis(6‐methyl‐2,2‐dioxo‐1,2,3‐oxathiazin‐4‐olato‐κO4)bis(3‐methylpyridine‐κN)nickel(II)], [Ni(C4H4NO4S)2(C6H7N)2(H2O)2], the NiII centre resides on a centre of symmetry and has a distorted octahedral geometry. The basal plane is formed by two carbonyl O atoms of two monodentate trans‐oriented acesulfamate ligands and two trans aqua ligands. The axial positions in the octahedron are occupied by two N atoms of two trans pyridine ligands. Molecules are stacked in columns running along the a axis. There are π–π stacking interactions between the molecules in each column, with a distance of 3.623 (2) Å between the centroids of the pyridine rings. There are also O—H⋯O interactions between the columns. 相似文献
6.
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
7.
Alexander J. Blake Binod B. De Wan‐Sheung Li Neil R. Thomas 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m570-m574
In the title compounds, [N‐(phenyl{2‐[N‐(S)‐(2‐picolyl)prolylamino]phenyl}methylene)‐(S)‐phenylalaninato]nickel(II), [Ni(C33H30N4O3)], (I), [N‐(phenyl{2‐[N‐(S)‐(3‐picolyl)prolylamino]phenyl}methylene)‐(S)‐phenylalaninato]nickel(II) hemihydrate, [Ni(C33H30N4O3)]·0.5H2O, (II), and [N‐({2‐[N‐(S)‐ethylprolylamino]phenyl}phenylmethylene)‐(S)‐phenylalaninato]nickel(II), [Ni(C29H29N3O3)], (III), the NiII centres have approximate square‐planar coordination geometries from N3O donor sets. The picolyl N atoms in (I) and (II) are too remote from the metal centres to interact significantly, but the metal coordination geometries experience tetrahedral distortion and/or displacement of the metal centre from the N3O plane. These are linked to conformational differences between the ligands of the symmetry‐independent complexes (Z′ = 2), which in turn are related to molecular packing. In (III), where a less sterically demanding ethyl group replaces the picolyl substituents, there are none of the distortions or displacements seen in (I) and (II). 相似文献
8.
The title complex, [Ag4(C7H5O3)2(C8H6N2)4(C7H6O3)4], lies about an inversion centre and has a unique tetranuclear structure consisting of four AgI atoms bridged by four N atoms from two 1,8‐naphthyridine (napy) ligands to form an N:N′‐bridge and four O atoms from two salicylate (SA) ligands to form an O:O′‐bridge. The Ag atoms have distorted octahedral coordination geometry. The centrosymmetric Ag4 ring has Ag—Ag separations of 2.772 (2) and 3.127 (2) Å, and Ag—Ag—Ag angles of 107.70 (4) and 72.30 (4)°. All SA hydroxy groups take part in intramolecular O—H⋯O hydrogen bonding. In the crystal packing, the napy rings are oriented parallel and overlap one another. These π–π interactions, together with weak intermolecular C—H⋯O contacts, stabilize the crystal structure. 相似文献
9.
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
10.
Cai‐Hong Chen Jiwen Cai Xiao‐Ming Chen 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m59-m60
The title compound, [Cu2(C6H19N4)2Cl2](C10H6O6S2)2·5H2O, is comprised of discrete [Cu2(tren)2Cl2]2+ dimers {tren is 2‐[N,N‐bis(2‐aminoethyl)amino]ethylaminium} and naphthalene‐1,5‐disulfonate anions. Two Cl? anions bridge two CuII ions, each of which is also coordinated by two of the primary and the tertiary amino N atoms of the tren ligand, giving each metal atom a distorted square‐pyramidal coordination geometry. The cation lies about an inversion centre and the asymmetric unit also has two independent anions lying about inversion centres. 相似文献
11.
Dorcas M. M. Farrell George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o6-o8
In the hydrated adduct N,N′‐dimethylpiperazine‐1,4‐diium bis(3‐carboxy‐2,3‐dihydroxypropanoate) dihydrate, [MeNH(CH2CH2)2NHMe]2+·2(C4H5O6)?·2H2O or C6H16N22+·2C4H5O6?·2H2O, formed between racemic tartaric acid and N,N′‐dimethylpiperazine (triclinic P, Z′ = 0.5), the cations lie across centres of inversion. The anions alone form chains, and anions and water molecules together form sheets; the sheets are linked by the cations to form a pillared‐layer framework. The supramolecular architecture thus takes the form of a family of N‐dimensional N‐component structures having N = 1, 2 or 3. 相似文献
12.
Masood Parvez Shaun T. Mesher Peter D. Clark 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):574-576
The structure of 2,5‐bis(methylthio)‐1,4‐benzoquinone, C8H8O2S2, is composed of an essentially planar centrosymmetric benzoquinone substituted with two methylthio groups. The important bond distances are S—Csp3 1.788 (2) and S—Csp2 1.724 (2) Å, and the two Csp2—Csp2 distances are 1.447 (3) and 1.504 (3) Å, which differ significantly. There are short S?S interactions of 3.430 (1) Å and Csp2—H?O‐type contacts forming a dimeric motif with graph set R22(8). The structure of 2‐methyl‐3‐(methylsulfonyl)benzo[b]thiophene, C10H10O2S2, is composed of an essentially planar benzothiophene moiety substituted with methyl and methylsulfonyl groups. The mean values of the important bond distances are endocyclic S—Csp2 1.734 (3), S=O 1.434 (4) and C—Caromatic 1.389 (10) Å. The exocyclic S—Csp2 and S—Csp3 distances are 1.759 (4) and 1.763 (5) Å, respectively. 相似文献
13.
Marcos A. De Brito Adailton J. Bortoluzzi Alessandra Greatti Augusto S. Ceccato Antnio C. Joussef Sueli M. Drechsel 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1188-1190
The binuclear cation of the title compound, [Ni2(C33H29N4O3)(H2O)4]C2H3O2·C3H7NO·0.75H2O, was synthesized as a model for the active site of urease. Two tridentate halves of the symmetrical 2,6‐bis{[(2‐hydroxyphenyl)(2‐pyridylmethyl)amino]methyl}‐4‐methylphenolate (BPPMP3?) ligand are arranged in a meridional fashion around the two NiII ions, with the phenoxo O atom bridging the NiII ions. The cation has an approximate twofold rotation axis running through the C—O bond of the bridging phenolate group. Four water molecules complete the octahedral environment of each NiII ion. 相似文献
14.
Bernardo Masci Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m584-m586
In the title compound, [UO2(C13H10O2)(C11H19N3)]·C3H6O, the U atom is in a pentagonal–bipyramidal environment, with the three N atoms of the 2,6‐bis[(dimethylamino)methyl]pyridine ligand and the two O atoms of the dianionic 2,2′‐methylenediphenolate ligand in the equatorial plane. The geometry is compared with that of previously reported 1:2 uranyl–diphenoxide complexes. 相似文献
15.
Jie Chen Ning‐Hai Hu Jie Zhan Yue‐Sheng Li 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m337-m338
A new polynuclear titanium(IV) complex, dichlorodeca‐μ2‐oxo‐hexakis(pentamethylcyclopentadienyl)hexatitanium(IV), [Ti6(C10H15)6Cl2O10], has been synthesized by hydrolysis of a titanium complex bearing an N‐(2‐hydroxy‐3,5‐dimethylbenzyl)diethanolamine Mannich ligand. The molecule has two O‐bridged Ti3O3 rings linked to two similar rings through a tetrahedrally O‐coordinated Ti atom. All Ti atoms except the central one are coordinated to pentamethylcyclopentadienyl (Cp*) ligands. The Cp* ligands are arranged with approximate symmetry with respect to the Ti/O/Cl core. 相似文献
16.
Nada Kouti‐Hulita Miroslav
egarac 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):o171-o173
In the crystal structure of (R)‐N,N‐diisopropyl‐3‐(2‐hydroxy‐5‐methylphenyl)‐3‐phenylpropylaminium (2R,3R)‐hydrogen tartrate, C22H32NO+·C4H5O6−, the hydrogen tartrate anions are linked by O—H⋯O hydrogen bonds to form helical chains built from (9) rings. These chains are linked by the tolterodine molecules via N—H⋯O and O—H⋯O hydrogen bonds to form separate sheets parallel to the (101) plane. 相似文献
17.
Necmi Dege Hasan Ibudak Elif Adyaman 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m401-m403
In the crystal structure of the title compound {systematic name: bis[6‐methyl‐1,2,3‐oxathiazin‐4(3H)‐one 2,2‐dioxide(1−)‐κ2N3,O4]bis(3‐methylpyridine)copper(II)}, [Cu(C4H4NO4S)2(C6H7N)2], the CuII centre resides on a centre of symmetry and has an octahedral geometry that is distorted both by the presence of four‐membered chelate rings and because of the Jahn–Teller effect. The equatorial plane is formed by the N atoms of two methylpyridine ligands and by the more basic O atoms of the acesulfamate ligands, while the weakly basic N atoms of these ligands are in elongated axial positions with a misdirected valence. The crystal is stabilized by two intermolecular C—H⋯O interactions involving the methyl and CH groups, and the sulfonyl O atoms of the acesulfamate group. 相似文献
18.
Kishie Noguchi Takashi Tamura Hidetaka Yuge Takeshi Ken Miyamoto 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):171-173
In two linkage isomers, bis[1,3‐dimethyl‐2,4,6(1H,3H,5H)‐pyrimidinetrionato]‐C5,O4‐(ethylenediamine‐N,N′)platinum(II), [Pt(C6H7N2O3)2(C2H8N2)], (I), and bis[1,3‐dimethyl‐2,4,6(1H,3H,5H)‐pyrimidinetrionato‐C5](ethylenediamine‐N,N′)platinum(II) dihydrate, [Pt(C6H7N2O3)2(C2H8N2)]·2H2O, (II), crystallized from the same aqueous solution containing [Pt(en)(OH)2] and 1,3‐dimethylbarbituric acid (Hdmbarb) in a 1:2 molar ratio, a pair of monodentate dmbarb? anions coordinate to the Pt atom at tetrahedral C atoms for (II), while one dmbarb? anion coordinates at the carbon and the other at a deprotonated enol oxygen for (I). The Pt—C distances in (I) and (II) are comparable: 2.112 (4) Å for (I), and 2.114 (4) and 2.117 (4) Å for (II). 相似文献
19.
Tim Kemmitt Graeme J. Gainsford Hana Robson‐Marsden 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m310-m312
The title compound, bis(2,2′‐methyliminodiethanolato)‐1κ3O,N,O′;3κ3O,N,O′‐di‐μ3‐propane‐1,3‐diolato‐1:2:3κ8O:O,O′:O′‐μ‐propane‐1,3‐diolato‐1:3κ2O:O′‐propane‐1,3‐diolato‐2κ2O,O′‐trititanium(IV), [Ti3(C5H11NO2)2(C3H6O2)4], has four 1,3‐propanediolate ligands binding in three different modes. Two ligands chelate adjacent Ti atoms with normal μ3‐O bridges, giving typical edge‐sharing of the Ti distorted octahedra, one chelating to the central Ti atom with no μ‐bridging, and the other spanning the cluster, binding only to the outermost Ti atoms. The two methyliminodiethanolate ligands each coordinate to the outer Ti atoms via their N and two O atoms. The Ti—O bond lengths range, in a self‐consistent fashion, from 1.816 (2) to 2.082 (2) Å, while the average Ti—N distance is 2.391 (3) Å. 相似文献
20.
Ana María Atria María Teresa Garland Ricardo Baggio Piedad Corts 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m297-m302
Two new oxo complexes, namely hexa‐μ2‐acetato‐acetatoaquabis(di‐3‐pyridylamine)di‐μ3‐oxo‐tetrairon(III) chloride monohydrate ethanol 1.25‐solvate, [Fe4(C2H3O2)7O2(C10H9N3)2(H2O)]Cl·1.25C2H6O·H2O, (I), containing a tetranuclear [Fe4(μ3‐O)2]8+ unit, and 2‐methylimidazolium hexa‐μ2‐acetato‐acetatodiaqua‐μ3‐oxo‐triiron(III) chloride dihydrate, (C4H7N2)[Fe3(C2H3O2)7O(H2O)2]Cl·2H2O, (II), with a trinuclear [Fe3(μ3‐O)]7+ unit, are presented. Both structures are formed by two well differentiated entities, viz. a compact isolated cluster composed of FeIII ions coordinated to O2− and CH3CO2− anions, and an external group formed by a central Cl− ion surrounded by different solvent groups to which the anion is bound through hydrogen bonding. In the case of (I), charge balance cannot be achieved within the groups, so the structure is macroscopically ionic; in the case of (II), in contrast, each group is locally neutral owing to the internal compensation of charges. The trinuclear complex crystallizes with the metal cluster, chloride anion and 2‐methylimidazolium cation bisected by a crystallographic mirror plane. 相似文献