Crystal and molecular structure of bis(2,2,6,6-tetramethylheptane-5-thiolo-3-onato)nickel(II)

Abstract

The crystal structure of the nickel(II) chelate of the monothio derivative of 2,2,6,6-tetramethyl-heptane-3, 5-dione has been studied at room temperature by X-ray diffraction methods. The space group isP2₁/c and the crystal data area = 19·96(2),b = 10·25(1),c = 12·45(1) Å, β = 102·17(5) °Z = 4,D _m = 1·22,D _c = 1·23 g cm⁻³. Full-matrix least-squares refinement of atomic and anisotropic thermal parameters, using 2109 non-zero intensities obtained by counter methods, terminated with a conventionalR of 0·105. The nickel was found to be surrounded by acis arrangement of two oxygen and two sulphur atoms which is almost planar, but slightly distorted towards a tetrahedron. All the evidence obtained supports extensive delocalization in the chelate rings, and the entire molecule has pseudomm symmetry. Thecis, rather thantrans relationship of the ligand atoms may indicate weak S-S interaction.