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

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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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Document Type: Research Article

Affiliations: 1: Faculty of Chemistry, Hanoi National University of Education, 136 Xuan Thuy, Cau Giay, Hanoi, Vietnam 2: VNU University of Science, Department of Inorganic Chemistry, 19 Le Thanh Tong Street, Hoan Kiem District, Hanoi, Vietnam 3: Department of Chemistry, KU Leuven, Biomolecular Architecture, Celestijnenlaan 200F, Leuven (Heverlee), B-3001, Belgium

Publication date: January 1, 2017

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