Zur Darstellung und Kristallstruktur von Barium-1,1-dicyanoethylen-2,2-oxo-thiolat-Tetrahydrat — ein Salz mit dem Anion [O(S)CC(CN)2 ]2- / Synthesis and Crystal Structure of Barium-1,1-dicyanoethylene-2,2-oxo-thiolate Tetrahydrate — a Salt with the Anion [O(S)CC(CN)2]2-

Abstract

Abstract By reaction of COS with malonitrile in presence of potassium ethanolate in ethanol K2O(S)CC(CN)2 · H2O is obtained. It reacts with Ba(NCS)2 ·3H2O in ethanol to form colourless crystals of BaO(S)CC(CN)2 · 4H2O. The space group of the barium salt is Pn21a (standard: Pna21) with Z = 4. The structure consists of Ba2+ and [O(S)CC(CN)2 ]2 - ions. The barium ion is bound to three nitrogen and six oxygen atoms. The coordination polyhedron is a tricapped trigonal prism. The anion [O(S)CC(CN)2 ]2 - is not exactly planar and is involved in several hydrogen bondings.