Synthesis, Characterization, Crystal Structure and Thermal Behavior of N'-(4-chlorobenzoyl)-N,N-di-n-butylthiourea and Its Nickel Complex


Abstract: We report the synthesis, structural characterization and thermal behavior of N'-(4-chlorobenzoyl)-N,N-di-n-butylthiourea (HL) and its nickel complex (NiL_2). Some physical properties of the prepared compounds were investigated using elemental analyses, IR, ^1H-NMR, and magnetic susceptibility. The molecular structures of HL and NiL_2 were determined by single crystal X-ray diffraction. HL is a monoclinic, space group P2_1/c with a = 10.7457(5) Å, b = 15.5909(8) Å, c = 10.4536(5) Å, \beta = 104.398(1)°, and V = 1696.34(14) Å^3 with Z = 4 for d_{calc} = 1.280 g/cm^3. NiL_2 is a triclinic, space group P-1 with a = 8.561(3) Å, b = 16.643(6) Å, c = 25.723(9) Å, \alpha = 77.448(6)°, \beta = 84.077(7)^o, \gamma = 88.684(6)°, and V = 3558(2) Å^3 with Z = 4 for D_{calc} = 1.326 g/cm^3. The ligands coordinate to the metal atom in a bidentate manner, yielding an essentially neutral complex of the type ML_2. Thermal decomposition of related compounds was investigated by TG and DTA. The pyrolytic end product was identified by X-ray powder diffraction.

Keywords: Thioureas, synthesis, X-ray structure, thermal behavior, benzoylthiourea

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