Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)

organic compounds

Acta Cryst. (2012). E68, o3298-o3299    [ doi:10.1107/S1600536812045254 ]


K. Mulla, Y. Zhao and L. N. Dawe

Abstract: The title mol­ecule, C58H44N6S8, has point symmetry 2 (in the Schönfliess notation C2). The related crystallographic twofold axis bis­ects the central ethane bond while it is parallel to the monoclinic unique axis of the unit cell. The dithiole=C-C=dithiole torsion angle is 103.7 (4)° and the triazole-anthracene moieties adopt a pincer-like conformation. The crystal structure features C-H...S and C-H...N contacts. The distance between the stacked anthracene fragments [centroid-centroid separations of 3.6871 (19) Å, off-set by 1.516 (3) Å and mean anthracene plane-plane separations of 3.361 (2) Å], which are parallel to (101) and (-101), indicates inter­molecular anthracene-anthracene [pi]-[pi] contacts. One of the terminal methyl­sulfanyl groups was modelled as being disordered with two refined orientations that converged to occupancies of 0.809 (5) and 0.191 (5).

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