Redetermination of the crystal structure of 2-oxo-1,3-thia-zolidin-4-iminium chloride

Acta Crystallogr E Crystallogr Commun. 2019 Mar 11;75(Pt 4):443-446. doi: 10.1107/S2056989019003189. eCollection 2019 Apr 1.

Abstract

In the redetermination of the title compound, C3H5N2OS+·CI-, the asymmetric unit consists of one independent 2-oxo-1,3-thia-zolidin-4-iminium cation and one independent chloride anion. The cation inter-acts with a chloride anion via N-H⋯Cl hydrogen bonds forming a supra-molecular chain along [010]. These supra-molecular chains are further extended by weak C-H⋯Cl and C-H⋯O inter-actions, forming a two-dimensional network parallel to (001). The crystal structure is further stabilized by weak C-O⋯π inter-actions, supporting a three-dimensional architecture. The structure was previously determined by Ananthamurthy & Murthy [Z. Kristallogr. (1975). 8, 356-367] but has been redetermined with higher precision to allow the hydrogen-bonding patterns and supra-molecular inter-actions to be investigated.

Keywords: chloro­acetic acid; crystal structure; hydrogen bonding; thia­zolidine; thio­urea.