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

• Main Authors: Linh Nguyen Ngoc, Trung Vu Quoc, Hoan Duong Quoc, Manh Vu Quoc, Luong Truong Minh, Chien Thang Pham, Luc Van Meervelt
• Format: Article
• Language: English
• Published: International Union of Crystallography 2017-11-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; thiophene; benzothiazole; microwave-assisted synthesis; solvent-free; whole-molecule disorder
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989017014530
• ISSN: 2056-9890

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.