Acta Crystallographica Section E: Crystallographic Communications (Nov 2017)

Green synthesis and crystal structure of 3-(benzothiazol-2-yl)thiophene

  • Linh Nguyen Ngoc,
  • Trung Vu Quoc,
  • Hoan Duong Quoc,
  • Manh Vu Quoc,
  • Luong Truong Minh,
  • Chien Thang Pham,
  • Luc Van Meervelt

DOI
https://doi.org/10.1107/S2056989017014530
Journal volume & issue
Vol. 73, no. 11
pp. 1647 – 1651

Abstract

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The title compound, C11H7NS2, was prepared in high yield (87%) using a solvent-free microwave-assisted synthesis. The structure shows whole-molecule disorder with occupancies for two orientations (A and B) of 0.4884 (10) and 0.5116 (10), respectively. The thiophene and benzothiazole 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 interactions, result in a herringbone motif in the crystal packing.

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