Huanxiang Wang

Structure of tetra(β-propiophenone-1,2,4,triazole-N4) dichloro metal hexahydrate complex: [MCl2(C2H2N3CH2CH2COPh)4]⋅6H2O (M = Ni, Co)

The crystal and molecular structures of the complexes of [NiCl2(N4-trzCH2CH2 COPh)4]⋅6H2O and [CoCl2(N4-trzCH2CH2COPh)4]⋅ 6H2O (trz = 1,2,4-triazole) have been determined by X-ray crystallography. They are isomorphous. The crystal structures are very similar. They both crystallize in the monoclinic system, space group P21/c, Z = 4; the former with lattice parameters a = 8.0391(2), b = 10.8215(2), c = 29.0133(2) Å, β = 94.792(1)°; the latter with a = 8.039(2), b = 10.822(2), c = 29.013(6) Å, β = 94.79(3)°. They all display almost perfect octahedral coordination geometry around the central metal atom. Each metal atom is coordinated by four N atoms of triazole from four β-propiophenone-1,2,4-triazole ligands and two chloride anions in a trans arrangement. In addition to the coordinating metal complex, there are six uncoordinated water molecules, which complete the crystal structure. In the solid state, the title two compounds form three dimensional network structures through hydrogen bonds. The intermolecular hydrogen bonds connect the [MCl2(C2H2N3CH2CH2COPh)4] and H2O moieties.