Acta Cryst. (2008). E64, m1476-m1477  [ doi:10.1107/S1600536808031814 ]

Sodium 2-mercaptoethanesulfonate monohydrate (coenzyme M sodium salt monohydrate)

S. Mayr, D. Günther, B. Jaun and W. B. Schweizer

Abstract: The 2-thioethanesulfonate anion is the smallest known coenzyme in nature (HS-CoM) and plays a key role in methanogenesis by anaerobic archaea, as well as in the oxidation of alkenes by Gram-negative and Gram-positive eubacteria. The title compound, Na⁺·C₂H₅O₃S₂^-·H₂O, is the Na⁺ salt of HS-CoM crystallized as the monohydrate. Six O atoms form a distorted octahedral coordination geometry around the Na atom, at distances in the range 2.312 (4)-2.517 (3) Å. Two O atoms of the sulfonate group, one O atom of each of three other symmetry-related sulfonate groups plus the water O atom form the coordination environment of the Na⁺ ion. This arrangement forms Na-O-Na layers in the crystal structure, parallel to (100).

Online 31 October 2008

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