A. V. Kurbanov

Copper(II) complex with 3-(2-hydroxy-3-sulfo-5-nitrophenylhydrazo)pentane-2,4-dione: Synthesis and structure

AbstractThe copper(II) complex with 3-(2-hydroxy-3-sulfo-5-nitrophenylhydrazo)pentane-2,4-dione (H3L) is studied, and its crystal structure is studied by X-ray diffraction analysis. The crystals of [Cu(H2O)2]2(μ-L)2[Cu(H2O)4] (I) are triclinic (space group P

Nickel(II) complex with 4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione and dimethyl sulfoxide: Crystal and molecular structures

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Molecular and crystal structure of 4-trifluoro-2-[2-(4-fluorophenyl)hydrazine-1-ylidene]-1-(thiophen -2-yl)butane-1,3-dione

) at 100 K, a = 7.085(3), b = 10.373(5), c = 12.265(6) Å, α = 0.842(5)°, β = 104.996(6)°, γ = 99.156(6)°, Z = 1). The C=O and NH groups of hydrazone and the OH and SO3H groups from the aromatic moiety of the molecule are involved in coordination with the copper(II) atom. In the centrosymmetric trinuclear molecule the central Cu(2) atom has the coordination number six, and the terminal Cu(1) atoms have the coordination number five. The thermal properties of complex I are studied. The complex formation of copper(II) with the H3L ligand in an aqueous solution at temperatures 298 ± 0.5, 308 ± 0.5, and 318 ± 0.5 K is studied by potentiometric titration. The standard thermodynamic functions of the complex formation are determined.

Quantum-chemical calculations, tautomeric, thermodynamic, spectroscopic and X-ray studies of 3-(4-fluorophenylhydrazone)pentane-2,4-dione

The crystal structure of a cobalt(II) complex with 4,4,4-trifluoro-1-thienylbutane-1,3-dione (Tfa) and dimethyl sulfoxide (DMSO) was determined using X-ray diffraction. The crystals are monoclinic: a = 7.590(3) Å, b = 17.996(8) Å, c = 10.440(4) Å, β = 106.263(8)°, V = 1368.9(10) Å3, space group P21, Z = 2, ρcalcd = 1.595 g/cm3, R = 0.0364. The coordination polyhedron of the cobalt atom is an octahedron made up of four O atoms of two Tfa ligands and two O atoms of two DMSO molecules. The deviation of the cobalt atom from the plane of 4O(Tfa) is 0.037 Å. The average Co-O(DMSO) and Co-O(Tfa) bond lengths are 2.122 and 2.052 Å, respectively.

Crystal structures of ethyl-4-(5-bromo-2-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and ethyl-1-methyl-15-oxo-2-oxa-14,16-diazatetracyclo [11.3.1.03.12.06.11]heptadeca-3,5,7,9,11-pentaene-17-carboxylate

A nickel(II) complex with 4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione and dimethyl sulfoxide, [Ni(C8H4F3O2S)2(C2H6OS)2], was obtained and examined by X-ray diffraction. The crystals are monoclinic: a = 7.557(2) Å, b = 17.854(3) Å, c = 10.470(2) Å, β = 106.412(3)°, V = 1355.1(4) Å3, ρcalcd = 1.611 g/cm3, Z = 2, space group P21, R = 0.032. The coordination polyhedron of the nickel atom is a distorted octahedron consisting of four equatorial O atoms of two β-diketonate ligands and two axial O atoms of DMSO. The average Ni-Oax and Ni-Oeq distances are 2.083(2) and 2.019(2)Å, respectively. The crystal structure is built from the discrete mononuclear complexes [Ni(C8H4F3O2S)2(C2H6OS)2] linked only by van der Waals contacts.

Crystal structure of 4,5-bis-phenyl-8a-phenyl-3,4,4a,5,6,8a-hexahydro-1H,8H-pyrimido[4.5-d]pyrimidine-2,7-dione

The crystal structure of copper(II) complex with the HL ligand obtained from 3-[4-carboxyphenylazo] penta-2,4-dione and ethylenediamine (En) was determined by X-ray diffraction. The crystals are orthorhombic: a = 7.329(3), b = 15.393(5), c = 18.474(7) Å, V = 2084.1(12) Å3, space group P212121, Z = 4, ρ(calcd.) = 1.486 g/cm3, R = 0.0441. The copper atom is coordinated by four nitrogen atoms of two En ligands and by the chlorine atom in an axial position according to the extended square pyramid geometry (4 + 1) (CIF file CCDC no. 1436882).

Crystal structure of 1-(4-bromo-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.02.7]trideca-2,4,6-trien-13-yl)ethanone

Single crystal X-ray diffraction is used to determine the crystal and molecular structure of 4-trifluoro-2-[2-(4-fluorophenyl)hydrazine-1-ylidene]-1-(thiophen-2-yl)butane-1,3-dione. Crystallographic data for C14H8F4N2O2S are as follows: a = 8.2723(6) Å, b = 9.3009(7) Å, c = 9.9895(7) Å; α = 79.224(2)°, β = 75.851(2)°, γ = 72.337(2)°. Triclinic crystal system, P-1 space group, dx = 1.622 g/cm3, V = 704.83(9) Å3, μ = 0.286 mm−1, crystal size 0.30×0.20×0.20 mm, R1 = 0.0891, wR2 = 0.1989.