Zuoxiang Wang

The crystal structure, equilibrium and spectroscopic studies of bis(dialkyldithiocarbamate) copper(II) complexes [Cu2(R2dtc)4] (dtc=dithiocarbamate)

Abstract Four copper(II) complexes of bis(dialkyldithiocarbamate) [Cd(R2dtc)2] (R=Me, Et, Pr, i-Pr; dtc=dithiocarbamate) have been prepared and characterized by elemental analysis, IR and ESR spectra studies. Their equilibrium constants (K), determined by a UV–vis spectrometry in EtOH, were influenced by the alkyl groups in the following order: i-Pr>n-Pr≈Et>Me. The single crystal structures of complex [Cu2(R2dtc)4] have been determined using X-ray diffraction methods. The compounds [Cu2(Et2dtc)4] and [Cu2(Pr2dtc)4] are built of centrosymmetric neutral dimeric [Cu2(R2dtc)4] entities. The copper atom lies in a distorted square–pyramidal environment. The four equatorial donors are two bidentate chelate sulfur atoms from two dtc ligands. One of the sulfur atoms from the third dtc ligand acts as a bridging ligand occupying the apical position of the symmetry-related copper atom in the dimer structure, which is viewed as two edge-sharing distorted square–pyramids. The structure of [Cu2(i-Pr2dtc)4] is square planar with an exactly planar CuS4 unit and nearly planar NCS2 moieties. The Cu–S distances shows small decreases along the series n-Pr>Et>i-Pr, the biggest change being for the diisopropyl complex. The alkyl substituents at the nitrogen atom affect their coordination number and Cu⋯Cu distance. In the solid, [Cu2(n-Pr2dtc)4] has the shortest Cu⋯Cu distance and [Cu(i-Pr2dtc)2] has the longest one.

Structure of bis(dipropyldithiocarbamate) cadmium(II), [Cd2(n-Pr2dtc)4] (dtc = dithiocarbamate)

The cadmium complex of bis(dipropyldithiocarbamate), [Cd2(n-Pr2dtc)4] (dtc = dithiocarbamate) was crystallized from ethylether. It crystallizes in the monoclinic system, space group P2I/c, with lattice parameters, a = 8.2532(1), b = 19.4519(1), c = 13.4163(2) Å, β = 99.243(1)°, and Z = 4. The X-ray single-crystal structure of [Cd2(n-Pr2dtc)4] reveals that the complex is binuclear in the solid state and the Cd atom has a distorted square-pyramidal coordination environment and four equatorial donors are the two bidentate chelate sulfur atoms from two dtc ligands, of which the sulfur atom from the bridging dtc ligand occupies the apical position of the symmetry-related Cd atom in the dimer structure.

Synthesis, structural and spectroscopic characterization of the α and β forms of bis(imidazole)copper(II) dibenzoate, [Cu(im)2(OBz)2]

Two modifications of the α and β forms of bis(imidazole)copper(II) dibenzoate, [Cu(im)2(OBz)2], have been obtained by recrystallization from EtOH. X-ray analysis reveals that the two modifications have the same structure with different geometric parameters. The α form crystallizes in the C2/c space group and the β form, in the P2(1)/n space group. The crystal structures of both consist of centrosymmetric monomeric molecules of [Cu(im)2(OBz)2] with a distorted octahedral geometry for the CuN2O2ċO2′ chromophore. The e.s.r. spectra of the α and β forms exhibit a shf structure that consists of 9 lines, and these signals are also different from those of monomeric tetra(imidazole)copper(II) diacetate. Electronic and i.r. spectra are in agreement with the structural data.

2-(2-Hydroxybenzylidene)-1-(2-picoloyl)-hydrazine hemihydrate

In the title compound [2-hydroxybenzaldehyde 2-pyridylcarbonylhydrazone hemihydrate, C 13 H 11 N 3 O 2 .-0.5H 2 O or (1).0.5H 2 O], molecules of (1) are linked pairwise through intermolecular N-N…N hydrogen bonds. These pairs alternate with hydrogen-bonded water molecules to form one-dimensional chains.

Structure of hexakis(imidazole)nickel(II) disalicylate, [Ni(Im)6](Sal)2

The crystal and molecular structures of [Ni(Im)6](Sal)2 (Im = imidazole, Sal = salicylate) have been determined by X-ray crystallography. It crystallizes in the triclinic system, space group P1¯, with lattice parameters a = 8.3125(2), b = 8.7168(1), c = 12.3262(3) Å, α = 90.341(1), β = 96.33(1), γ = 101.544(1)°, and Z = 1. The crystal structure of the title compound is built up of discrete monomeric molecules of [Ni(Im)6](Sal)2. The nickel(II) ions have an octahedral geometry with the NiN6 chromophore. In the solid state, the title compound forms a network through N—H···O hydrogen bonds, the intermolecular hydrogen bonds connect the Ni(Im)2+6 moieties and salicylate molecules.

Crystal structure and spectroscopic properties of a one-dimensional copper(I) coordination polymer: μ-ethylene bis(diethyldithiocarbamate) copper(I) perchlorate. [Cu(EDTC)2]ClO4[EDTC=ethylene bis(diethyldithiocarbamate)]

Abstract The synthesis and X-ray structure of the one-dimensional polymeric ethylene bis(diethyldithiocarbamate) copper(I) perchlorate complex formulated as [Cu(EDTC)2]n⋅(ClO4)n were reported. The copper ion is tetrahedrally coordinated by four sulfur atoms from four different ligand molecules. Each of the ethylene bis(diethyldithiocarbamate) ligands bridges two copper(I) ions. The shortest Cu–Cu distance is 8.361(3) A. This bidentate, non-chelating coordination leads to a one-dimensional chain. The structure of the title compound in solution was also studied by electrospray mass spectrometry (ESMS). This study demonstrates that a one-dimensional chain polymer could be retained in solution as the same structure as in solid.

4-(p-Bromophenyl)-3,5-bis(2-pyridyl)-4H-1,2,4-triazole

The molecule of the title compound, C 18 H 12 BrN 5 , is basically planar except that the phenyl and pyridyl rings are tilted in a propeller manner with respect to the central five-membered 1,2,4-triazole ring.

CCDC 129678: Experimental Crystal Structure Determination

Related Article: Zuoxiang Wang, Zhiping Bai, Jiaxiang Yang, K.Okamoto, Xiaozeng You|1998|Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.|54|438|doi:10.1107/S0108270197014625

N-(n-butyl)-3,4-dibromomaleimide

The X-ray structure analysis of the title compound, C 8 H 9 Br 2 NO 2 , was carried out. In the unit cell, the molecules are stacked with their C=C double bonds at close intermolecular distances of approximately 3.6A. Conjugation in the imide ring is not significant.