Synthesis and Structure of cis-Dioxobis(pyrimidine-2-thiolato-N,S)molybdenum(VI)

Abstract

The characterization of two Mo^VI complexes, cis -[MoO₂(2-pymS)₂] and cis -[MoO₂(2-pyS)₂] (where 2-pymSH is pyrimidine-2-thiol and 2-pySH is pyridine-2-thiol), and their reaction with Ph₃P are reported. The X-ray structure of cis -[MoO₂(2-pymS)₂] shows the molybdenum atom to exist in a distorted octahedral geometry defined by two mutually cis oxygen atoms and two chelating 2-pymS ligands so that the two sulfur atoms occupy approximate trans positions. Crystals of cis -[MoO₂(2-pymS)₂] are monoclinic, space group P 2₁/n, with unit cell dimensions: a 9.301(3), b 12.121(2), c 11.303(3) Å, β 112.62(3)º, V 1176.3 ų, Z 4. The structure was refined by a full-matrix least-squares procedure to R 0.067 for 1858 reflections with I ≥ 2.5 (I).