Green synthesis and crystal structure of 3-(benzo-thia-zol-2-yl)thio-phene

Acta Crystallogr E Crystallogr Commun. 2017 Oct 13;73(Pt 11):1647-1651. doi: 10.1107/S2056989017014530. eCollection 2017 Nov 1.

Abstract

The title compound, C11H7NS2, was prepared in high yield (87%) using a solvent-free microwave-assisted synthesis. The structure shows whole-mol-ecule disorder with occupancies for two orientations (A and B) of 0.4884 (10) and 0.5116 (10), respectively. The thio-phene and benzo-thia-zole rings are almost planar and make dihedral angles of 10.02 (18) and 12.54 (19)° for orientations A and B, respectively. Slipped π-π stacking between the aromatic rings, together with C-H⋯π, C-H⋯S and C-H⋯N inter-actions, result in a herringbone motif in the crystal packing.

Keywords: benzo­thia­zole; crystal structure; microwave-assisted synthesis; solvent-free; thio­phene; whole-mol­ecule disorder.

Grants and funding

This work was funded by VLIR–UOS grant ZEIN2014Z182 to LVM.