2,6-Bis(4-meth-oxy-phen-yl)-1,4-dithiine

Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 15;70(Pt 2):o137. doi: 10.1107/S1600536814000397. eCollection 2014 Feb 1.

Abstract

The title mol-ecule, C18H16O2S2, reveals crystallographic twofold rotation symmetry (with both S atoms lying on the axis) and one half-mol-ecule defines an asymmetric unit. The dithiine ring is in a boat conformation. The aromatic ring and the C=C bond are nearly coplanar, with small torsion angles of -171.26 (19) and 8.5 (3)°. The two S-C bond lengths [1.7391 (19) and 1.7795 (18) Å] are shorter than single C-S bonds and longer than analogous C=S double bonds, which indicates a certain degree of conjugation between the lone pair on the S atom and π electrons of the C=C bond. The crystal packing only features van der Waals inter-actions.