Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 11 (November 2003)

fa1033 scheme

Acta Cryst. (2003). C59, o653-o655 [doi:10.1107/S0108270103022662]

4,5-Propylenedithio-1,3-dithiole-2-thione and 4,5-propylenedithio-1,3-dithiol-2-one

G. Xue, Q. Fang and W. Yu

Abstract: 4,5-Propylenedithio-1,3-dithiole-2-thione, C₆H₆S₅, (I), crystallizes in the centrosymmetric space group P2₁/c. The molecular packing is characterized by pairs of SS intermolecular contacts between neighbouring molecules, which may account for the rather high thermal stablity of the crystal. 4,5-Propylenedithio-1,3-dithiol-2-one, C₆H₆OS₄, (II), in which an O atom replaces the terminal S atom of (I), crystallizes in the non-centrosymmetric polar space group Cc. The packing pattern of (II) indicates that the macropolarization direction is along [101]. Although the packing patterns are qualitatively significantly different, the molecular structures of (I) and (II) are similar, each exhibiting a chair conformation.

Formula: C₆H₆S₅ and C₆H₆OS₄

Online 31 October 2003


	Structure factor file (CIF format) (103.8 kbytes) Contains datablock I

	Structure factor file (CIF format) (56.9 kbytes) Contains datablock 0313

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