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1.
Brendan J. O'Keefe Peter J. Steel 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1440-1441
The title complex, tetra‐μ‐acetato‐O:O′‐bis{[μ‐1,4‐bis(2‐pyridyloxy)phenylene‐N,C2:N′,C6]dipalladium(II)} bis(trichloromethane) dihydrate, [Pd4(C16H10N2O2)2(C2H3O2)4]·2CHCl3·2H2O, the product of the reaction of 1,4‐bis(2‐pyridyloxy)benzene with palladium acetate, is shown to be a tetranuclear, rather than a polymeric, species. It crystallizes about a centre of inversion and has two doubly cyclopalladated ligands bridged by four acetate groups. The cyclopalladated ligand is far from planar in the complex and has the central benzene rings π‐stacked. The chelate rings exist in shallow boat conformations. 相似文献
2.
Russell G. Baughman Daniel J. Brink Jill M. Butler Pamela R. New 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):528-531
The first single‐crystal studies of three bis‐transoid Cu–hydroxamate salts, bis(3‐methoxy‐4,N‐dimethylbenzohydroxamato‐O,O′)copper(II), [Cu(C10H12NO3)2], bis(4‐chloro‐N‐methylbenzohydroxamato‐O,O′)copper(II), [Cu(C8H7ClNO2)2], bis(N‐methyl‐3,5‐dinitrobenzohydroxamato‐O,O′)copper(II)–chloroform (1/2), [Cu(C8H6N3O6)2]·2CHCl3, are presented. The Cu atom in each of the title compounds sits at a center of inversion and displays a nearly square‐planar geometry with the hydroxamate‐O atoms connected to it in a syn configuration. The N atoms are in a transoid configuration. Each five‐membered Cu–hydroxamate ring is planar, thus providing evidence that a planar N atom is present in each ring. The phenyl groups are twisted with respect to the hydroxamate group by ~40–54°. The angular strain of the sp2 carbonyl oxygen is significant (~10° from ideal). 相似文献
3.
Bian‐Hong Meng Fei Gao Miao‐Li Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m308-m310
In the structure of the title compound, heptaaqua‐1κ3O,2κ2O,3κ2O‐(μ3‐2,6‐bis{[bis(carboxylatomethyl)amino]methyl}‐4‐chlorophenolato‐1κO;2κ4O,O′,N,O1;3κ4O1N′,O′′,O′′′)dinickel(II)sodium(I) pentahydrate, [NaNi2(C16H14ClN2O9)(H2O)7]·5H2O or [Ni2(Cl‐HXTA)(H2O)4{Na(H2O)3}]·5H2O, the trinuclear complex unit consists of two distorted NiNO5 octahedra bridged by a phenolate O atom and an NaO4 tetrahedron bridged to one of the Ni octahedra by a carboxylate O atom. There are four intramolecular hydrogen bonds forming four six‐membered rings in the complex and the complex molecules are connected to each other by a very complicated hydrogen‐bond network. 相似文献
4.
Adailton J. Bortoluzzi Ademir Neves Ricardo A. A. Couto Rosely A. Peralta 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m27-m29
The synthesis and characterization of a new unsymmetrical dinucleating N,O‐donor ligand, 2‐[N,N‐bis(2‐pyridylmethyl)aminomethyl]‐6‐[N‐(3,5‐di‐tert‐butyl‐2‐oxidobenzyl)‐N‐(2‐pyridylamino)aminomethyl]‐4‐methylphenol (H2Ldtb), as well as the X‐ray crystal structure of its corresponding mixed‐valence diacetate‐bridged manganese complex, di‐μ‐acetato‐μ‐{2‐[N,N‐bis(2‐pyridylmethyl)aminomethyl]‐6‐[N‐(3,5‐di‐tert‐butyl‐2‐oxidobenzyl)‐N‐(2‐pyridylamino)aminomethyl]‐4‐methylphenolato}dimanganese(II,III) tetraphenylborate, [MnIIMnIII(C42H49N5O2)(C2H3O2)2](C24H20B), are reported. The complex may be regarded as an interesting structural model for the mixed‐valence MnII–MnIII state of manganese catalase. 相似文献
5.
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
6.
Fan Yu 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(10):m287-m290
A mononuclear iron(II) complex with the tripodal ligand bis(pyridin‐2‐ylmethyl)(quinolin‐2‐ylmethyl)amine (dpqa) has been synthesized and structurally characterized, namely [bis(pyridin‐2‐ylmethyl)(quinolin‐2‐ylmethyl)amine‐κ4N,N′,N′′,N′′′]bis(thiocyanato‐κS)iron(II), [Fe(NCS)2(C22H20N4)], exhibits a three‐dimensional supramolecular network viaπ–π interactions and S...H—C hydrogen‐bonding interactions between adjacent FeII centres. Temperature‐dependent magnetic measurements under different external pressures and X‐ray diffraction measurements indicate that all the FeII centres in this complex retain a high‐spin state upon cooling from 300 to 2 K. The surprising absence of spin‐crossover behaviour for this mononuclear iron(II) complex is attributed to the steric hindrance originating from the substituted quinoline ring in the dpqa ligand. 相似文献
7.
You‐Ming Zhang Liang Xian Tai‐Bao Wei 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):m473-m474
The title complex, chlorobis{ethyl N‐[(4‐methylanilino)thiocarbonyl]carbamate‐κS}copper(I), [CuCl(C11H14N2O2S)2], was synthesized by the reaction of cupric chloride with the corresponding thiourea derivative. The complex has imposed crystallographic m symmetry and the CuI coordination environment is trigonal planar, formed by two S atoms and one Cl atom. The formation of intramolecular hydrogen bonds promotes the stability of the complex. 相似文献
8.
Xiue Lin Yan‐Qin Wang Rong Cao Feng Li Wen‐Hua Bi 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m292-m294
The title cadmium(II) polymer, catena‐poly[[[bis(4‐aminopyridine‐κN)aquacadmium(II)]‐μ‐1,4‐phenylenediacetato‐κ4O,O′:O′′,O′′′] dihydrate], {[Cd(C10H8O4)(C5H6N2)2(H2O)]·2H2O}n, comprises one‐dimensional wave‐like chains, in which the Cd atom is coordinated by 1,4‐phenylenediacetate and 4‐aminopyridine molecules. The 1,4‐phenylenediacetate ligands lie about inversion centres. Extensive hydrogen‐bonding interactions between the chains lead to a three‐dimensional structure. Free water molecules form chains in the structure. 相似文献
9.
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
10.
Karl Hensen Ralf Mayr‐Stein Bjrn Spangenberg Michael Bolte 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):610-613
The reaction products of an addition reaction of five different silicon tetrahalides with the aromatic nitrogen base 4‐methylpyridine are presented. The following five structures are isomorphous: (I) tetrachlorobis(4‐methylpyridine)silicon, C12H14Cl4N2Si, (II) bromotrichlorobis(4‐methylpyridine)silicon, C12H14BrCl3N2Si, (III) dibromodichlorobis(4‐methylpyridine)silicon, C12H14Br2Cl2N2Si, (IV) tribromochlorobis(4‐methylpyridine)silicon, C12H14Br3ClN2Si, and (V) tetrabromobis(4‐methylpyridine)silicon, C12H14Br4N2Si. The molecules of (I) and (V), with D2h symmetry, have crystallographic C2h symmetry, while the molecules of (II), (III) and (IV) have a lower molecular symmetry, but as a result of the disorder of the halogen ligands, they appear to be of the same crystallographic symmetry. The environment around the Si atom can be described as a slightly distorted octahedron with the methylpyridine ligands occupying axial positions and the four halogen ligands in the equatorial plane. In spite of the different substitution pattern of the silicon centre, there are only insignificant differences between these five structures. 相似文献
11.
Katherine A. Bussey Annie R. Cavalier Jennifer R. Connell Margaret E. Mraz Kayode D. Oshin Tomislav Pintauer Allen G. Oliver 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(7):526-533
The structures of five compounds consisting of (prop‐2‐en‐1‐yl)bis[(pyridin‐2‐yl)methylidene]amine complexed with copper in both the CuI and CuII oxidation states are presented, namely chlorido{(prop‐2‐en‐1‐yl)bis[(pyridin‐2‐yl)methylidene]amine‐κ3N,N′,N′′}copper(I) 0.18‐hydrate, [CuCl(C15H17N3)]·0.18H2O, (1), catena‐poly[[copper(I)‐μ2‐(prop‐2‐en‐1‐yl)bis[(pyridin‐2‐yl)methylidene]amine‐κ5N,N′,N′′:C2,C3] perchlorate acetonitrile monosolvate], {[Cu(C15H17N3)]ClO4·CH3CN}n, (2), dichlorido{(prop‐2‐en‐1‐yl)bis[(pyridin‐2‐yl)methylidene]amine‐κ3N,N′,N′′}copper(II) dichloromethane monosolvate, [CuCl2(C15H17N3)]·CH2Cl2, (3), chlorido{(prop‐2‐en‐1‐yl)bis[(pyridin‐2‐yl)methylidene]amine‐κ3N,N′,N′′}copper(II) perchlorate, [CuCl(C15H17N3)]ClO4, (4), and di‐μ‐chlorido‐bis({(prop‐2‐en‐1‐yl)bis[(pyridin‐2‐yl)methylidene]amine‐κ3N,N′,N′′}copper(II)) bis(tetraphenylborate), [Cu2Cl2(C15H17N3)2][(C6H5)4B]2, (5). Systematic variation of the anion from a coordinating chloride to a noncoordinating perchlorate for two CuI complexes results in either a discrete molecular species, as in (1), or a one‐dimensional chain structure, as in (2). In complex (1), there are two crystallographically independent molecules in the asymmetric unit. Complex (2) consists of the CuI atom coordinated by the amine and pyridyl N atoms of one ligand and by the vinyl moiety of another unit related by the crystallographic screw axis, yielding a one‐dimensional chain parallel to the crystallographic b axis. Three complexes with CuII show that varying the anion composition from two chlorides, to a chloride and a perchlorate to a chloride and a tetraphenylborate results in discrete molecular species, as in (3) and (4), or a bridged bis‐μ‐chlorido complex, as in (5). Complex (3) shows two strongly bound Cl atoms, while complex (4) has one strongly bound Cl atom and a weaker coordination by one perchlorate O atom. The large noncoordinating tetraphenylborate anion in complex (5) results in the core‐bridged Cu2Cl2 moiety. 相似文献
12.
Filipe A. Almeida Paz Andrew D. Bond Yaroslav Z. Khimyak Jacek Klinowski 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m608-m610
catena‐Poly[[[bis[diaqua(4,4′‐bipyridine)cadmium(II)]‐bis[μ‐(N′′‐carboxymethyldiethylenetriamine‐N,N,N′,N′′‐tetraacetato)cadmium(II)]]‐μ‐4,4′‐bipyridine] tetradecahydrate], [Cd4(C14H19N3O10)2(C10H8N2)3(H2O)4]·14H2O or [Cd4(HDTPA)2(BPY)3(H2O)4]·14H2O, where BPY is 4,4′‐bipyridine and HDTPA4? is N′′‐carboxymethyldiethylenetriamine‐N,N,N′,N′′‐tetraacetate, consists of a one‐dimensional coordination polymer formed from a secondary building unit which comprises four Cd centres. The chain structure of the title compound was obtained by the use of a multidentate organic ligand, N,N,N′,N′′,N′′‐diethylenetriaminepentaacetic acid (H5DTPA), which forms multiple chelate rings with the Cd metal centres. An extended network is formed via hydrogen bonds. 相似文献
13.
Makoto Eishima Shigeru Ohba Masumi Suzuki Chiaki Nagasawa Takeshi Sugai 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1391-1393
In the racemic crystals of (1S,2R)‐ or (1R,2S)‐1‐[N‐(chloroacetyl)carbamoylamino]‐2,3‐dihydro‐1H‐inden‐2‐yl chloroacetate, C14H14Cl2N2O4, (I), the enantiomeric molecules form a dimeric structure via the N—H?O cyclic hydrogen bond of the carbamoyl moieties. In the chiral crystals of (—)‐(1S,2R)‐1‐[N‐(chloroacetyl)carbamoylamino]‐2,3‐dihydro‐1H‐inden‐2‐yl chloroacetate, C14H14Cl2N2O4, (II), the N—H?O intermolecular hydrogen bond forms a zigzag chain around the twofold screw axis. The melting points and calculated densities of (I) and (II) are 446 and 396 K, and 1.481 and 1.445 Mg m?3, respectively. 相似文献
14.
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
15.
Hidetaka Yuge Takeshi Ken Miyamoto Tomofumi Kikuchi Yukihiro Iwasaki 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m594-m596
In the first bis[ruthenium(II)–porphyrin]–dicarbene complex, μ‐[1,4‐phenylenebis(phenylmethylidene‐κC)]bis[(ethanol‐κO)(5,10,15,20‐tetra‐p‐tolylporphyrinato‐κ4N)ruthenium(II)] 1,2‐dichloroethane trisolvate, [Ru2(C20H14)(C48H36N4)2(C2H6O)2]·3C2H4Cl2, an inversion center is located at the center of the μ‐phenylene group, leading to a parallel arrangement for the pair of porphyrin ring systems. The bond lengths and angles compare favourably with literature values for ruthenium–porphyrin–monocarbene complexes; the Ru=C(carbene) bond length and the C(phenyl)—C(carbene)—C(phenylene) angle are 1.865 (3) Å and 112.3 (3)°, respectively. The RuII ion is displaced out of the C20N4 porphyrin least‐squares plane (by 0.2373 Å) toward the bridging ligand of the Ci‐symmetry dimer. The porphyrin ring systems of the dimer thus exhibit mildly domed conformations. 相似文献
16.
Bing Zhang Hui‐Zhong Kou Yi He Hong‐Gen Wang Ai‐Li Cui 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m341-m342
A new polymeric copper complex, viz.catena‐poly[[[μ‐N,N′‐bis(3‐aminopropyl)oxamidato‐κ6N,N′,O:N′′,N′′′,O′]dicopper(II)]‐di‐μ‐dicyanamido‐1:1′κ2N1:N5;2:2′κ2N1:N5], [Cu2(C8H16N4O2)(C2N3)2]n or [Cu(oxpn)0.5{N(CN)2}]n [where H2oxpn is N,N′‐bis(3‐aminopropyl)oxamide], has been synthesized by the reaction of Cu(oxpn), [Cu(ClO4)2]·6H2O and NaN3. In the crystal structure, the Cu atom is five‐coordinate and has a square‐pyrimidal (SP) configuration. In the polymer, dicyanamide (dca−) groups link CuII cations in a μ‐1,5‐bridging mode, generating novel ladders in which each step is composed of dimeric [Cu2(oxpn)]2+ cations. Abundant hydrogen bonds connect the polymer ladders into a two‐dimensional network structure. 相似文献
17.
Masood Parvez Kristin Braitenbach 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):919-920
The structure of dichloro[1‐(p‐chlorobenzyl)‐2‐(1‐pyrrolidinylmethyl‐N)‐1,3‐benzimidazole‐N3]cobalt(II), [CoCl2(C19H20ClN3)], contains a molecule of clemizole bound in a bidentate manner to cobalt through its imidazole and pyrrolidinyl N atoms, with significantly different Co—N distances of 1.976 (5) and 2.126 (5) Å, respectively. The geometry around cobalt is distorted tetrahedral, with significantly different Co—Cl distances of 2.217 (2) and 2.233 (2) Å, and the pyrrolidinyl ring is disordered. 相似文献
18.
Eleonora Freire Sergio Baggio Leopoldo Suescun Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):905-908
Three cis nickel–dithiocyanate (SCN) complexes with different N,N′‐bidentate bases have been prepared and their crystal structures determined: bis(2,2′‐bipyridine‐N,N′)bis(thiocyan‐ato‐N)nickel(II), [Ni(SCN)2(C10H8N2)2], bis(1,10‐phenanthroline‐N,N′)bis(thiocyanato‐N)nickel(II), [Ni(SCN)2(C12H8N2)2], and bis(2,9‐dimethyl‐1,10‐phenanthroline‐N,N′)bis(thiocyanato‐N)nickel(II) monohydrate, [Ni(SCN)2(C12H8N2)2]·H2O. Distortions due to ligand size are discussed. 相似文献
19.
Michael Bolte Alexander Degen Stephan Rühl 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):446-451
We have determined the crystal structures of 2,2′‐(4‐fluorophenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C23H27FO4, (I), 2,2′‐(4‐chlorophenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C23H27ClO4, (II), 2,2′‐(4‐hydroxyphenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C23H28O5, (III), 2,2′‐(4‐methylphenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C24H30O4, (IV), 2,2′‐(4‐methoxyphenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C24H30O5, (V), and 2,2′‐(4‐N,N′‐dimethylaminophenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C25H33NO4, (VI). Structures (III) to (VI) of these bis‐dimedone derivatives show nearly the same packing pattern irrespective of the different substituent in the para position of the aromatic ring. However, (II) does not fit into this scheme, although the Cl atom is a substituent not too different from the others. The different packing of the fluoro compound, (I), can be explained by the fact that it crystallizes with two molecules in the asymmetric unit, which show a different conformation of the dimedone ring. On the other hand, (I) shows a similar packing pattern to bis(2‐hydroxy‐4,4‐dimethyl‐6‐oxo‐1‐cyclohexenyl)phenylmethane, a compound containing an aromatic ring without any substituent and with Z′ = 2. 相似文献
20.
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