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

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 ?-? stacking between the aromatic rings, together with C-H??, C-H?S and C-H?N inter-actions, result in a herringbone motif in the crystal packing.

SUBMITTER: Nguyen Ngoc L

PROVIDER: S-EPMC5683482 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature

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

Nguyen Ngoc Linh L Vu Quoc Trung T Duong Quoc Hoan H Vu Quoc Manh M Truong Minh Luong L Thang Pham Chien C Van Meervelt Luc L

Acta crystallographica. Section E, Crystallographic communications 20171013 Pt 11

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 wi ...[more]

PMID: 29152342

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