Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 5 (May 2009)

organic compounds

Acta Cryst. (2009). C65, o198-o201 [ doi:10.1107/S0108270109011470 ]

5-(4,5-Ethylenedithio-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalen-2-one (EDTO-TTP) and 5-[4,5-(ethene-1,2-diyldithio)-1,3-dithiol-2-ylidene]-1,3,4,6-tetrathiapentalen-2-one (VDTO-TTP)

H.-F. Chen, Q. Fang, W.-T. Yu, A. S. Batsanov and J. A. K. Howard

Abstract: The title sulfur-rich organic molecular crystals, namely EDTO-TTP (C₉H₄OS₈) and VDTO-TTP (C₉H₂OS₈), are characterized by conjugated C-S bonds and SS intermolecular short contacts. The planar EDTO-TTP molecules are parallel packed and exhibit strong intermolecular interactions, including side-by-side transverse SS contacts, face-to-face longitudinal [pi] - [pi] interactions and C-HO hydrogen bonding. On cooling the EDTO-TTP crystal from 220 to 120 K, the cell dimensions and the intermolecular distances (such as SS contacts and especially [pi] - [pi] spacings) become shorter, while the intramolecular bonds become longer. The curved VDTO-TTP molecules are packed in such a way as to make the crystal fully depolarized. The intermolecular interactions of the VDTO-TTP crystal are relatively weak, because of the weak [pi] - [pi] interactions and the lack of hydrogen bonding.

Formula: C₉H₄OS₈ and C₉H₂OS₈


	Structure factor file (CIF format) (131.7 kbytes) [ doi:10.1107/S0108270109011470/sk3310Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (150.8 kbytes) [ doi:10.1107/S0108270109011470/sk3310IIsup3.hkl ] Contains datablock II

	Structure factor file (CIF format) (149.1 kbytes) [ doi:10.1107/S0108270109011470/sk3310IIIsup4.hkl ] Contains datablock III

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