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1.
The product of the reaction of (-C5 H5)Ru(PPh3)2 Cl and CuC2Ph has been characterized by single-crystal x-ray diffraction techniques and shown to have stoichiometry (-C5 H5)Ru(PPh3)2Cu(C2Ph)Cl-(CH3)2CO(I). The compound contains a phenylethynyl group -bonded to the ruthenium atom and simultaneously -bonded to a terminal Cu-Cl bond. Crystals of this compound from acetone are monoclinic,P21/c, witha = 12.914, = 22.111,c = 16.534 Å, = 110.77 °, andZ — 4. Full-matrix least-squares refinement constraining the phenyl rings of the triphenylphosphines, the cyclopentadienyl ring, and the solvent of crystallization (acetone) as rigid groups yieldedR and weightedR values of 0.084 and 0.075, respectively.  相似文献   

2.
The reaction of 2,6-diacetylpyridine-bis(phenylhydrazone),L, with commercial uranyl chloride under a variety of different conditions gave only complexes of the type [2LH]2+[UO2Cl4]2?,xCH3CN (x = 1 or 2). The structure of the title compound was determined by X-ray analysis. The crystals are triclinic, space groupP¯1,a=12.77(1),b= 23.12(2),c= 8.11(1) Å, α = 94.33(3) °, β = 89.43(3) °, γ = 98.22(3) ° andZ= 2. The structure was solved by Fourier methods, and refined by least-squares toR= 0.074 for 5210 reflections which were measured on an automatic diffractometer. The [UO2Cl4]2? anions have approximately4mm m (D 4h ) symmetry, with the uranyl group perpendicular to a plane in which the four chlorine atoms occupy the corners of a square. The organic cations are approximately planar. Shortening in the C-N (chain) bond distances suggests the presence of a mesomeric effect extended over the entire organic system.  相似文献   

3.
Manganese(II), nickel(II), and copper(II) complexes of 2,6-diacetylpyridine bis (acetylhydrazone) (H2dapac) have been synthesized and structurally characterized by X-ray diffraction methods. [Mn(H2dapac) (OH2)2](NO3)2 crystallizes in the monoclinic space groupP21/c witha=11.145(3),b=10.723(4),c=17.189(2) Å, =92.81(2)° andZ=4; [Ni(H2dapac)(OH2)2] (NO3)2·H2O crystallizes in the monoclinic space groupP21 witha=9.994(3),b=14.423(4),c=7.697(2)Å, =100.37(2)°, andZ=2; [Cu(H2dapac)(OH2)2](NO3)2·H2O crystallizes in the orthorhombic space groupPbcn witha=20.986(5),b=14.552(3),c=6.905(1)Å andZ=4. In each case the metal atom has a slightly distorted pentagonal bipyramidal environment, the equatorial positions being occupied by three nitrogen and two oxygen atoms from the hydrazone ligand and the apices by two water molecules. The crystalline cohesion in ensured by a three-dimensional network of hydrogen bonds involving the complex cations, the nitrate anions, and, where present, the uncoordinate water molecules.  相似文献   

4.
The synthesis and crystal structures of two copper bromide salts of the 4-dimethylaminopyridinium (4DMAP+) cation are reported. The Cu(I) salt, (4DMAP)2CuBr3, crystallizes in the monoclinic space group C2/c, with a = 11.724(2), b = 11.055(3), c = 15.763(3) Å, = 107.64(3)°, and Z = 4. It contains isolated planar 4DMAP+ cations and trigonal planar CuBr3 2– anions. Small distortions from idealized D 3h symmetry are observed for the anion. For the Cu(II) salt, (4DMAP)2CuBr4, a triclinic cell is observed with a = 8.2373(2), b = 9.2428(2), c = 14.4391(1) Å, = 93.760(1), = 94.576(1), = 105.249(1)°, and Z = 2. This compound contains discrete planar 4DMAP+ cations and flattened tetrahedral CuBr4 2– anions. Small distortions are observed for ideal D 2d symmetry.  相似文献   

5.
The crystal and molecular structure of bis(N,N-di-n-butyldithiocarbamato)gold(III) bis(1,2-dicyanoethene-1,2-dithiolato)aurate(III), Au[S2CN(C4H9)2]2Au[S2C2(CN)2]2, has been determined from a single-crystal X-ray diffraction study. The monoclinic cell, space groupP21,/c, witha = 9·930(3),b = 12·517(3),c = 15·632(3) Å and = 110·46(3) °, contains two formula units. Three-dimensional intensity data, up to = 35 ° were collected on an automatic diffractometer. Atomic parameters were refined by full-matrix least-squares methods to a conventionalR value of 0·04 for 1874 independent non-zero reflections. The structure consists of bis(di-n-butyldithiocarbamato)gold(III) cations and bis(l,2-dicyanoethene-l,2-dithiolato)aurate(III) anions. In both ions, the gold atom is in planar coordination with four sulphur atoms, the Au-S bond lengths being 2·333(4) and 2·337(4) Å in the cation and 2·312(4) and 2·306(5) Å in the anion.  相似文献   

6.
Abstract  Two substituted pyridinium chloride salts, namely 4-chloro-2,6-bis(hydroxymethyl)pyridinium chloride (triclinic, P-1, a = 6.0651(8) ?, b = 8.4393(8) ?, c = 8.6554(9) ?, α = 78.845(1)°, β = 83.156(1)°, γ = 89.047(1)°; V = 431.55(8) ?3; Z = 2) and 4-dimethylamino-2,6-bis(hydroxymethyl)pyridinium chloride hemihydrate (orthorhombic, Aba2, a = 17.2179(14) ?, b = 17.6332(15) ?, c = 7.2068(6) ?; V = 2188.0(3) ?3; Z = 4), have been structurally characterized. Hydrogen bonding and van der Waals contacts are evident in both structures. Furthermore, the 4-dimethylamino derivative features a trigonal planar dimethylamino group with some π interaction between the nitrogen atom and the pyridine ring. Graphical Abstract  Two compounds, namely 4-chloro-2,6-bis(hydroxymethyl)pyridinium chloride and 4-dimethylamino-2,6-bis(hydroxymethyl)pyridinium chloride hemihydrate, have been spectroscopically and structurally characterized.   相似文献   

7.
Several alkyl-, aralkyl-, and aryl-substituted diammonium-oxobis[trichloroferrate(III)] salts, of potential interest as model compounds for the study of certain electrophysical and biological processes, are synthesized via the corresponding tetrachloroferrate(III) salts and are characterized by IR and Raman spectroscopy. A structure analysis is performed on the representative bis(benzyldimethylphenylammonium)-oxobis(trichloroferrate). The (tetracoordinate) iron atoms in the oxo-bridged dinuclear anion of the salt each possess an ever so slightly distorted tetrahedral ligand environment; the bridge geometry [Fe-O distances 1.757(5) and 1.775(5) Å, Fe-O-Fe angle 147.7(3)°] compares well with that of other salts containing the [Cl3Fe-O-FeCl3]2- anion. Crystallographic Data:a=26.392(5) Å,b=14.015(3) Å,c=9.638(2) Å,=92.65(2)°, andZ=4; space groupP21/n.R(F)=0.070,R W (F)=0.078 for 4447 observed reflections.  相似文献   

8.
The crystal and molecular structure of bis(N,N-di-n-butyldithiocarbamato)-copper (III) triiodide, Cu(S2CN(C4H9)2)2 +I3 , has been determined from a single-crystal X-ray diffraction study. The monoclinic unit cell, space groupP21/c,a = 14·026(6),b = 8·62(1),c = 25·015(9) Å, = 95·35(5) °, contains four formulaentities. Three-dimensional intensity data were obtained from Weissenberg photographs. Atomic parameters were refined by full-matrix least-squares methods to a conventionalR value of 0·083 for 950 independent non-zero reflexions. The structure contains two symmetry-independent cations. In both cations, the copper atom is in planar coordination with four sulphur atoms, the mean Cu(III)-S bond length being 2·22(2) Å. Cu(III)-S distances are about 0·08 Å less than Cu(II)-S distances in comparable complexes.  相似文献   

9.
The title compound (C18H26N6Cl2) crystallizes in monoclinic space group P21/c with a = 14.867(4) Å}, b = 7.758(2) Å}, c = 9.671(3) Å}, = 108.78(1), V = 1056.0(5) Å}3, Z = 2, Dcal = 1.250 Mg/m3 at T = 293 K. The structure was solved by direct methods and refined by full-matrix least-squares procedures to final R = 0.0650 and wR = 0.1719 using 2493 reflections. The imidazole ring is planar and the n-butyl chain adopts an extended conformation. The molecules in the crystal are stabilized by N–H s N type of intermolecular hydrogen bondings in addition to van der Waals forces.  相似文献   

10.
Bis(4-formyl-2-methoxyphenolato)bis(pyridine)copper(II) monohydrate crystallizes in the triclinic system:a = 10·432,b = 9·342,c = 13·799 Å, = 103·75, = 100·53, = 100·81 °,Z = 2, space groupP¯1.The structure was determined by Fourier methods with Cuk diffractometer data, and refined by a combination of block-diagonal and full-matrix least squares toR = 0·068 for 2430 observed reflexions.The copper atoms occupy the special positions 0, 0, 0 and 0,1/2, 1/2; hence, both molecules are centrosymmetric. Both the methoxy and phenolic oxygen atoms of the phenolate ions coordinate to the metal. These, together with coordinated nitrogen atoms from the pyridine molecules, give the copper atoms a six-fold coordination.Hydrogen bonding between a water molecule and the phenolic oxygen atoms of adjacent molecules results in chains of molecules linked approximately along [011].  相似文献   

11.
An octahedral geometry for the molecule of the title complex with very slight distortions around Co(III) is confirmed by single-crystal X-ray diffraction study. The molecular structure of the complex has been shown to contain two dodecylamine moieties in the trans orientations, two N-bonded dimethylglyoximato (DMG) groups and an uncoordinated nitrite ion.  相似文献   

12.
(2,2′-bipyrimidine)dinitratopalladium(II) forms a triclinic crystal in space groupP?1 witha=7.605(5) Å,b=8.791(4) Å,c=12.632(5) Å, α=85.11(3)0, β=78.79(4)0, γ=77.45(4)0,V=807.7(7) Å3, andZ=2. The Pd atom exhibits square planar coordination geometry with mean Pd?O=2.206(7) Å, Pd?N=1.990(5) Å, O?Pd?O=92.0(2)0, and N?Pd?N=81.0(2)0. The complexes associate across an inversion center with Pd...Pd=3.190(2) Å. The bipyrimidine ligand is bowed with a 5.9(2)0 dihedral angle between the C4N2 rings. The nitrate ions are on the same side of the N2O2 donor atoms plane and make 60.4(2)0 and 66.6(2)0 dihedral angles with that plane.  相似文献   

13.
The salt bis 4-benzyl piperidinium bis dihydrogenmonophosphate trihydrogenmonophosphate (bis 4-BPP bis DPT) is monoclinic with the following unit cell dimensions: a = 13.132(2) Å, b = 8.755(2) Å, c = 13.643(2) Å, β = 92.40(2)°, space group P21 with Z = 2. The structure was solved by the Patterson method and refined to final R value of 0.0430. The structure consists of infinite parallel two-dimensional planes built of mutually H2PO4 , H3PO4 tetrahedra and cations connected by strong O–H···O and N–H···O hydrogen bonding. There are no contacts other than van der Waals interactions between the layers.  相似文献   

14.
The crystal structure of copper bis(tenuazonate) monohydrate has been determined by X-ray diffraction from 968 counter-measured intensities. The thin flat crystals are monoclinic,P21, witha = 13.77(1),b = 15.51(1),c = 11.14(1) Å, = 109.5(2) °, and two formula units, C20H26CuN2O6·H2O, per asymmetric unit. The structure was refined by full-matrix least squares toR = 0.056. Because of the dimerization one copper ion is four- and the other five-coordinate. The dimers are hydrogenbonded into sheets by water molecules.NIM Applied Structural Chemistry Research Group  相似文献   

15.
The crystal and molecular structure of the title compound, (C13H11N2)[Ni(S2C6H4)2], is reported. Crystals are triclinic, space groupP¯1(No.2) withZ=2 in a unit cell of dimensionsa=9.363(1),b=10.148(1),c=13.623(1) Å,=85.64(1),=107.33(1), and =113.10(1)°. The structure was solved by the heavy-atom method and refined by the method of full-matrix least squares toR=0.036 for 2874 unique reflections. The metal atom of the anion has an approximate square-planar configuration. The metal atoms occupy the origins and A-face centers of the lattice. The anions with the metal atoms in the origins stack along thec-axis, the interplanar separation being thec-axis lattice repeat of 13.623(1) Å. The anions with the metal atoms in theA-face centers and the cations form a mixed stack along the short diagonal of theab-plane. The short interplanar distances (C–A=A–C=3.43 Å and C-C=3.91 Å) in the mixed stack (CAC-CAC) show the possibility of unusual electrical behavior. There is no evidence of direct or indirect metal-metal interaction.This work was supported by the Department of Science and Technology, Government of India, New Delhi, for which we are grateful. One of the authors (PK) also expresses his thanks to the U.G.C., New Delhi and Pachaiyappas College, Madras, for the award of FIP Fellowship.  相似文献   

16.
Crystals of (p-PhOC6H4)2TeCl2 are monoclinic with space groupP21/c,a=8.063(2),b=21.695(5),c=12.622(2) Å,=101.57(2)°, andZ=4. The structure refined to a finalR value of 0.055 for 2135 unique observed reflections. The compound adopts a primary four-coordinate geometry based on a distorted trigonal bipyramid with an equatorial lone pair. A weak Te-Cl secondary interaction links the molecules into centrosymmetric dimers.  相似文献   

17.
The title compound is prepared from 1-methylimidazoline-2(3H)-thione (mimtH) and copper(II) chloride, in a 11 mole ratio in methanol. The crystals are monoclinic, space groupP21/n, witha=8.530(2),b=14.258(2),c=9.693(2) Å,=93.15(2)°,Z=2. The molecular structure shows a dimeric copper(II) complex, in which each copper is chelated by a 1,1-dimethyl-2,2-diimidazolylsulfide ligand, and bonded to three chlorine atoms, two bridging and one terminal. The coordination geometry of each copper is approximately square pyramidal, with two nitrogen atoms, a terminal chlorine, and one of the bridging chlorines forming the square plane. The second bridging chlorine forms the apex of the pyramid.  相似文献   

18.
C30H51NO4P2Pt-[C2H3N], orthorhombic,Pbca, a=16.132(1),b=16.610(2),c=24.001(2) Å.Z=8,D c=1.54 g cm–3,R=0.042,R w=0.048, GOF=1.33. The platinaoxalate (PtC2O2) ring fragment is essentially planar with Pt–O bond lengths of 2.067(8) and 2.058(7) Å.  相似文献   

19.
20.
The title compound (C6H8N)2Mo2I6(H2O)2 crystallizes in theP¯1 space group, witha = 8.127(3),b = 8.337(3),c = 10.415(4) Å, = 73.99(2), = 84.35(2), = 73.91(2) ° andZ = 1. The structure was solved by direct methods and refined to the unweighted and weighted residuals of 0.044 and 0.052. The structure is characterized by the eclipsed configuration of the iodide ions and water molecules within Mo2I6(H2O) 2 2– ion and very short Mo-Mo bond distance 2.115(1) Å. Three independent Mo-I distances are 2.784(1), 2.760(2) and 2.797(1) Å. 4-Methylpyridinium ion is planar within 0.02° Å. The compound is isostructural with (C6H8N)2Mo2Br6(H2O)2.Part II, Breni, J. V., Leban, I., and egedin, P. (1976).Z. Anorg. Allg. Chem. 427, 85.  相似文献   

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