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

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...

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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

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spelling	doaj-58a9c598133e44979f60e1c742164a822020-11-24T23:37:33ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902017-11-0173111647165110.1107/S2056989017014530tx2001Green synthesis and crystal structure of 3-(benzothiazol-2-yl)thiopheneLinh Nguyen Ngoc0Trung Vu Quoc1Hoan Duong Quoc2Manh Vu Quoc3Luong Truong Minh4Chien Thang Pham5Luc Van Meervelt6Faculty of Chemistry, Hanoi National University of Education, 136 Xuan Thuy, Cau Giay, Hanoi, VietnamFaculty of Chemistry, Hanoi National University of Education, 136 Xuan Thuy, Cau Giay, Hanoi, VietnamFaculty of Chemistry, Hanoi National University of Education, 136 Xuan Thuy, Cau Giay, Hanoi, VietnamFaculty of Chemistry, Hanoi National University of Education, 136 Xuan Thuy, Cau Giay, Hanoi, VietnamFaculty of Chemistry, Hanoi National University of Education, 136 Xuan Thuy, Cau Giay, Hanoi, VietnamVNU University of Science, Department of Inorganic Chemistry, 19 Le Thanh Tong Street, Hoan Kiem District, Hanoi, VietnamDepartment of Chemistry, KU Leuven, Biomolecular Architecture, Celestijnenlaan 200F, Leuven (Heverlee), B-3001, BelgiumThe 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.http://scripts.iucr.org/cgi-bin/paper?S2056989017014530crystal structurethiophenebenzothiazolemicrowave-assisted synthesissolvent-freewhole-molecule disorder
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Linh Nguyen Ngoc Trung Vu Quoc Hoan Duong Quoc Manh Vu Quoc Luong Truong Minh Chien Thang Pham Luc Van Meervelt
spellingShingle	Linh Nguyen Ngoc Trung Vu Quoc Hoan Duong Quoc Manh Vu Quoc Luong Truong Minh Chien Thang Pham Luc Van Meervelt Green synthesis and crystal structure of 3-(benzothiazol-2-yl)thiophene Acta Crystallographica Section E: Crystallographic Communications crystal structure thiophene benzothiazole microwave-assisted synthesis solvent-free whole-molecule disorder
author_facet	Linh Nguyen Ngoc Trung Vu Quoc Hoan Duong Quoc Manh Vu Quoc Luong Truong Minh Chien Thang Pham Luc Van Meervelt
author_sort	Linh Nguyen Ngoc
title	Green synthesis and crystal structure of 3-(benzothiazol-2-yl)thiophene
title_short	Green synthesis and crystal structure of 3-(benzothiazol-2-yl)thiophene
title_full	Green synthesis and crystal structure of 3-(benzothiazol-2-yl)thiophene
title_fullStr	Green synthesis and crystal structure of 3-(benzothiazol-2-yl)thiophene
title_full_unstemmed	Green synthesis and crystal structure of 3-(benzothiazol-2-yl)thiophene
title_sort	green synthesis and crystal structure of 3-(benzothiazol-2-yl)thiophene
publisher	International Union of Crystallography
series	Acta Crystallographica Section E: Crystallographic Communications
issn	2056-9890
publishDate	2017-11-01
description	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.
topic	crystal structure thiophene benzothiazole microwave-assisted synthesis solvent-free whole-molecule disorder
url	http://scripts.iucr.org/cgi-bin/paper?S2056989017014530
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Green synthesis and crystal structure of 3-(benzothiazol-2-yl)thiophene

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