Acta Cryst. (2002). E58, o514-o516  [ doi:10.1107/S1600536802005445 ]

4,5-Bis(2-cyanoethylthio)-1,3-dithiol-2-one

G.-Q. Liu, W.-T. Yu, G. Xue, Z. Liu and Q. Fang

Abstract: The crystal structure of the title compound, C₉H₈N₂OS₄, is characterized by the planar, conjugated moiety of 4,5-dimercapto-1,3-dithiole-2-one (dmio), which is substituted by two cyanoethyl groups, lying on opposite sides of the five-membered ring. This molecular conformation is similar to that of the computationally optimized free molecule with minimum energy. The presence of O and N atoms in the molecule produces many weak interactions in the crystal, quite different from the classical dmit (4,5-dimercapto-1,3-dithiole-2-thione) alkyl compounds.

Online 12 April 2002

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