The stuctural nature of a Bender's salt: an X-ray study of potassium O-methyl monothiocarbonate

Abstract

The structure of the Bender's salt, potassium O-methyl monothiocarbonate (C₂H₃O₂S-K⁺), has been determined by single crystal X- ray diffraction methods. The crystals are monoclinic of space group P2₁/c with a 6.7295(5), b 6.9438(5), c 11.1520(10) Ǻ, β 110.93(2)° and Z 4. The structure was solved using a direct phasing programme in conjunction with the Patterson synthesis and refined by a full-matrix least-squares method to R 0.041 for the 788 independent statistically significant reflections collected by counter methods. The crystals are composed of potassium ions and O-methyl monothiocarbonate anions. Each anion is essentially planar with bond lengths and angles having values very similar to those of related systems.