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Acta Crystallogr C. 2003 Nov;59:o656-8. doi: 10.1107/s010827010302287x. Epub 2003 Oct 31.

Pseudosymmetry in ammonium [(carboxymethyl)sulfanyl]acetate.

Acta crystallographica. Section C, Crystal structure communications

Jan K Maurin, Michał Pawłowski, Zbigniew Czarnocki

Affiliations

  1. National Institute of Public Health, Che?mska 30/34, 00-725 Warsaw, Poland. [email protected]

PMID: 14605421 DOI: 10.1107/s010827010302287x

Abstract

The structure of the title compound, NH(4)(+).C(4)H(5)O(4)S(-), is composed of monocarboxylate anions of [(carboxymethyl)sulfanyl]acetic acid linked into infinite chains via strong O-H...O(-) hydrogen bonds. The three-dimensional structure is completed by the ammonium cations, which interlink neighbouring chains via N-H...O hydrogen bonds. Solution and refinement in the true space group Pn led to an unambiguous position for the single carboxyl H atom. In the higher symmetry space group P2/n, the carboxylate anion would be located on a twofold axis.

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