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1.
Maurice Abou Rida Joseph Saikaili Anthony K. Smith Alain Thozet 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):352-353
The title compound, dicarbonyl‐1κ2C‐di‐μ‐chloro‐1:2κ4Cl‐[cis,cis‐2(η4)‐1,5‐cyclooctadiene]dirhodium(I), [Rh2Cl2(C8H12)(CO)2], consists of a dichloro‐bridged dimer of rhodium, with a non‐bonded Rh?Rh distance of 3.284 (2) Å. One Rh atom is coordinated to two carbonyl ligands, while the other Rh atom is coordinated to the cyclooctadiene moiety. 相似文献
2.
Won Seok Han Soon W. Lee 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):m189-m190
In the title compound, azido‐2κN‐bis[μ‐(1η5:2κP)‐diphenylphosphinocyclopentadienyl][2(η5)‐pentamethylcyclopentadienyl]iron(III)rhodium(III) hexafluorophosphate, [{Rh(C10H15)(N3)}{Fe(μ‐C17H14P)2}]PF6 or [FeRh(C10H15)(μ‐C17H14P)2(N3)]PF6, the coordination sphere of RhIII can be described as pseudo‐tetrahedral, composed of two P atoms from a 1,1′‐bis(diphenylphosphino)ferrocene (dppf) ligand, an azido N atom and the centroid of the ring of a C5Me5 (Cp*) ligand. The two cyclopentadienyl rings in the dppf moiety adopt an eclipsed conformation. The Rh⋯Fe distance is 4.340 (2) Å. 相似文献
3.
Petr tpni
ka Ivana Císaov Michal Hor
ek Karel Mach 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1204-1205
The title compound, (η5‐cyclopentadienyl)[(1,2,3,4,5‐η)‐4‐ferrocenyl‐1,2,5,6‐tetrakis(trimethylsilyl)cyclohexa‐2,4‐dien‐1‐yl]titanium(II), [TiFe(C5H5)2(C23H42Si4)] or [Ti{η5‐C6H2{Fe(η5‐C5H4)(η5‐C5H5)}{Si(CH3)3}4}(η5‐C5H5)], possesses two directly linked metallocene units that subtend an angle of 52.9 (1)° (defined by the least‐squares planes of the directly connected π‐ligands) associated with the steric requirements of the bulky trimethylsilyl substituents. The cyclohexadienyl ligand adopts an envelope conformation; the perpendicular distance of its η5‐plane to the Ti atom is 1.512 (1) Å. 相似文献
4.
Pierre Haquette Franck Lebideau Samuel Dagorne Jrme Marrot Grard Jaouen 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):m551-m552
The crystal structure of the title compound, chloro(η5‐cyclopentadienyl){(1R,2S)‐2‐[(diphenylphosphino)methylamino]‐1‐phenylpropyl diphenylphosphinite‐κ2P,P′}ruthenium(II), [Ru(C5H5)Cl(C34H33NOP2)], is reported. The pseudo‐octahedral complex is chiral and the configuration at the Ru atom is S. The seven‐membered metallacycle adopts a boat‐like conformation. 相似文献
5.
Brian J. Grimmond Joyce Y. Corey Nigam P. Rath 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):53-55
The first title metallocene, 1,3‐bis(dichlorotitanocene)‐1,1,3,3‐tetramethyldisiloxane dichloromethane solvate, [(η5‐C5H5)TiCl2(η5‐C5H4SiMe2)]2O·CH2Cl2, (I), crystallizes in space group P21/c. Compound (I) represents the first crystal structure of a bimetallic siloxy‐bridged titanocene. The geometric parameters of (I) are similar to those of the parent titanocene; however, the disiloxane substituents adopt an unexpected eclipsed conformation. The second title metallocene, 1,3‐bis[(pentamethylcyclopentadienyl)(cyclopentadienyl)titanium dichloride]‐1,1,3,3‐tetramethyldisiloxane, [(η5‐C5‐Me5)TiCl2(η5‐C5H4SiMe2)]2O, (II), represents the second crystal structure of a bimetallic siloxy‐bridged titanocene and crystallizes in the space group P21/n. Compound (I) possesses non‐crystallographic twofold molecular symmetry and both metal centers adopt pseudo‐tetrahedral geometries. The geometric parameters of (II) are similar to those of the mixed titanocene Cp*CpTiCl2 (Cp* = C5Me5) and the disiloxane substituents adopt a staggered conformation. 相似文献
6.
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
7.
Marciela Scarpellini Ademir Neves Adailton J. Bortoluzzi Antnio C. Joussef 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):356-358
In the title mononuclear complex, [Cu(C5H9N3)(C10H15N5)](ClO4)2, the CuII centre is surrounded by two N‐donor ligands, which impose a square‐pyramidal environment on the metal. The new tridentate ligand [2‐(imidazol‐4‐yl)ethyl][(1‐methylimidazol‐2‐yl)methyl]amine (HISMIMA) lies in the basal plane, while the histamine ligand occupies the apical and one of the basal positions around the CuII ion. 相似文献
8.
Reijo Sillanp Jordi Llop Clara Vias Francecs Teixidor Raikko Kiveks 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):900-901
In the title compound, (η5‐2,5‐dimethylpyrrolyl)[(7,8,9,10,11‐η)‐7‐methyl‐7,8‐dicarba‐nido‐undecaborato]cobalt(III), [3‐Co{η5‐[2,5‐(CH3)2‐NC4H2]}‐1‐CH3‐1,2‐C2B9H10] or [Co(C3H13B9)(C6H8N)], the CoIII atom is sandwiched between the pentagonal faces of the pyrrolyl and dicarbollide ligands, resulting in a neutral molecule. The C—C distance in the dicarbollide cage is 1.649 (3) Å. 相似文献
9.
Intermolecular stacking in pyrazolo[3,4‐d]pyrimidine‐based pentamethylene‐linked flexible molecules
Kamlakar Avasthi Sheikh M. Farooq Ashish K. Tewari Ashoke Sharon Prakas R. Maulik 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):o42-o45
The crystal structures of 1‐{5‐[4,6‐bis(methylsulfanyl)‐2H‐pyrazolo[3,4‐d]pyrimidin‐2‐yl]pentyl}‐6‐methylsulfanyl‐4‐(pyrrolidin‐1‐yl)‐1H‐pyrazolo[3,4‐d]pyrimidine, C22H29N9S3, and 6‐methylsulfanyl‐1‐{5‐[6‐methylsulfanyl‐4‐(pyrrolidin‐1‐yl)‐2H‐pyrazolo[3,4‐d]pyrimidin‐2‐yl]pentyl}‐4‐(pyrrolidin‐1‐yl)‐1H‐pyrazolo[3,4‐d]pyrimidine, C25H34N10S2, which differ in having either a pyrrolidine substituent or a methylsulfanyl group, show intermolecular stacking due to aromatic π–π interactions between the pyrazolo[3,4‐d]pyrimidine rings. 相似文献
10.
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
11.
Jrg Saßmannshausen Jrg Rust Richard Goddard 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e236-e237
The title compound, [Zr(C7H7)3(C15H17)], (I), crystallizes from light petroleum with two independent molecules in the asymmetric unit. Whereas in the parent molecule, Zr(η5‐C5H5)(CH2Ph)3, all three Zr—CH2Ph angles are equal, in (I), they differ significantly. In spite of their different environments, both independent molecules in (I) exhibit a small, an expected, and a large Zr—CH2Ph angle. The angles are similar to those of the closely related tribenzyl[η5‐(benzyldimethylsilyl)cyclopentadienyl]zirconium complex. The smallest Zr—CH2Ph angle and the consequently relatively short Zr?Cipso distance are indicative of η2‐bonding of the benzyl group. 相似文献
12.
(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
13.
Ning‐Hai Hu Heng‐Qing Jia Jing‐Wei Xu Katsuyuki Aoki 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):o457-o459
The title compound, 3‐[(4‐amino‐2‐methylpyrimidin‐5‐yl)methyl]‐5‐(2‐hydroxyethyl)‐4‐methylthiazolium tetraphenylborate monohydrate, C12H17N4OS+·C24H20B−·H2O, is a salt in which the thiamine cations are linked by hydrogen bonds into a two‐dimensional network having (4,4)‐topology. The stacked sheets form channels, which are occupied by the anions; the cations and anions are linked by C—H⋯π(arene) hydrogen bonds. 相似文献
14.
Robert J. Hinkle Robert McDonald 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o117-o121
The crystal structures of [(Z)‐2‐methylbut‐1‐en‐1‐yl][4‐(trifluoromethyl)phenyl]iodonium trifluoromethanesulfonate, C12H13F3I+·CF3O3S?, (I), (3,5‐dichlorophenyl)[(Z)‐2‐methylbut‐1‐en‐1‐yl]iodonium trifluoromethanesulfonate, C11H12Cl2I+·CF3O3S?, (II), and bis{[3,5‐bis(trifluoromethyl)phenyl][(Z)‐2‐methylbut‐1‐en‐1‐yl]iodonium} bis(trifluoromethanesulfonate) dichloromethane solvate, 2C13H12F6I+·2CF3O3S?·CH2Cl2, (III), are described. Neither simple acyclic β,β‐dialkyl‐substituted alkenyl(aryl)idonium salts nor a series containing electron‐deficient aryl rings have been described prior to this work. Compounds (I)–(III) were found to have distorted square‐planar geometries, with each I atom interacting with two trifluoromethanesulfonate counter‐ions. 相似文献
15.
Magno Agostinho Andrei Banu Pierre Braunstein Richard Welter Xavier Morise 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(3):m81-m86
Three new palladium complexes containing a difunctional P,N‐chelate, namely tris(chloro{[1‐methyl‐1‐(6‐methyl‐2‐pyridyl)ethoxy]diphenylphospine‐κ2N,P}methylpalladium(II)chloroform solvate, 3[Pd(CH3)Cl(C21H22NOP)]·CHCl3, (III), dichloro[2‐(2,6‐dimethylphenyl)‐6‐(diphenylphosphinomethyl)pyridine‐κ2N,P]palladium(II), [PdCl2(C26H24NP)], (IV), and chloro[2‐(2,6‐dimethylphenyl)‐6‐(diphenylphosphinomethyl)pyridine‐κ2N,P]methylpalladium(II), [Pd(CH3)Cl(C26H24NP)], (V), are reported. Geometric data and the conformations of the ligands around the metal centers, as well as slight distortions of the Pd coordination environments from idealized square‐planar geometry, are discussed and compared with the situations in related compounds. Non‐conventional hydrogen‐bond interactions (C—H⋯Cl) have been found in all three complexes. Compound (III) is the first six‐membered chloro–methyl–phosphinite P,N‐type PdII complex to be structurally characterized. 相似文献
16.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):m531-m533
In the title compound [systematic name: triaqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)(2‐nitrophenolato‐κO)barium(II)–aqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)‐ bis(2‐nitrophenolato‐κ2O,O′)barium(II)–2‐nitrophenolate (1/1/1)], [Ba(C12H24O6)(C6H4NO3)(H2O)3][Ba(C12H24O6)(C6H4NO3)2(H2O)](C6H4NO3), the two BaII atoms encapsulated by the 18‐crown‐6 rings have different coordinations. Although both BaII atoms are coordinated to the six O atoms of the crowns, in the neutral moiety, the BaII atom is coordinated to one terminal O atom from a water molecule, two phenolate O atoms and two nitro‐group O atoms, while in the cationic moiety, the BaII atom is coordinated to three terminal O atoms from water molecules and one phenolate O atom. Both the crowns are eclipsed and translated along the b direction. In the asymmetric unit, the three components are interconnected by four O—H?O interactions. The packing is stabilized by two intermolecular C—H?O interactions and by one O—H?O interaction. 相似文献
17.
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
18.
Prakas R. Maulik Kamlakar Avasthi Sanjay Sarkhel Tilak Chandra Diwan S. Rawat Brad Logsdon Robert A. Jacobson 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1361-1363
In the crystal structures of 4,6‐dimethylthio‐1‐[3‐(4,6‐dimethylthio‐2H‐pyrazolo[3,4‐d]pyrimidin‐2‐yl)propyl]‐1H‐pyrazolo[3,4‐d]pyrimidine, C17H20N8S4, and 1‐[4‐(4‐methoxy‐6‐methylthio‐1H‐pyrazolo[3,4‐d]pyrimidin‐1‐yl)butyl]‐5‐methyl‐6‐methylthio‐4,5‐dihydro‐1H‐pyrazolo[3,4‐d]pyrimidin‐4‐one, C18H22N8O2S2, only intermolecular stacking due to aromatic π–π interactions between pyrazolo[3,4‐d]pyrimidinerings is present. 相似文献
19.
Zhong‐Lu You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m295-m297
The two title complexes, catena‐poly[[{2,2′‐[1,3‐propanediylbis(nitrilomethylidyne)]diphenolato}cobalt(III)]‐μ‐azido], [Co(C17H16N2O2)(N3)]n, (I), and catena‐poly[[{2,2′‐[1,3‐propanediylbis(nitrilomethylidyne)]diphenolato}cobalt(III)]‐μ‐thiocyanato], [Co(C17H16N2O2)(NCS)]n, (II), are isomorphous polynuclear cobalt(III) compounds. In both structures, the CoIII atom is six‐coordinated in an octahedral configuration by two N atoms and two O atoms of one Schiff base, and two terminal N or S atoms from two bridging ligands. The [N,N′‐bis(salicylidene)propane‐1,3‐diaminato]cobalt(III) moieties are linked by the bridging ligands, viz. azide in (I) and thiocyanate in (II), giving zigzag polymeric chains with backbones of the type [–Co—N—N—N—Co]n in (I) or [–Co—N—C—S—Co]n in (II) running along the c axis. 相似文献
20.
Ilia A. Guzei Curtis J. Czerwinski 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):m615-m617
The title compounds, [Cr(C12H10)(CO)3] and [Cr2(C12H10)(CO)6], serve as a fundamental standard of comparison for other mono‐ and polysubstituted (η6‐biphenyl)tricarbonylchromium compounds. (η6‐Biphenyl)tricarbonylchromium has a typical piano‐stool coordination about the Cr center, and the dihedral angle between the planes of the phenyl rings is 23.55 (5)°. The corresponding angle in μ‐(η6:η6)‐biphenyl‐bis(tricarbonylchromium) is 0° because the molecule occupies a crystallographic inversion center; the Cr atoms reside on opposite sides of the biphenyl ligand. Density functional theory and natural bonding orbital theory analyses were used to scrutinize the geometry of these and closely related compounds to explain important structural features. 相似文献