Abstract: The crystal and molecular structure of the title compound has been determined by CAD4 single crystal diffractometer, using graphite monochromated Mo-K_α radiation. The crystal belongs to monoclinic system with space group P2_1α and crystallography data: α=0.7667(2), b=1.4802(8), c=0.8676(1) nm, β=101.46(2)°, V=0.965 nm, z=2. The molecular formula of the compocnd is Co(SCN)_2.C_(14)H_(26)O_4N_2, and M=525.58.
The crystal structure was solved by heavy atom method and refined by full matrix least squares with isotropic thermal parameters for H atoms and anisotropic for the others, using 1847 unique reflections having I>3σ. The final discrepancy factors R=0.041, R_w=0.037.
The crystal consists of discrete isolated molecules. The molecule is crystallographically centrosymmetric as shown in Fig.1. The Co atom is coordinated by two O and four N atoms octahedrally. The bond lengths Co-N(2) is 2.165, Co-N(1) 2.039 and Co-O(1) 0.2295 nm. The conformation of the ligand molecules in the complex was found to be significantly diffrent with those for the free ligand.