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3-Bromo-2-[4-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-1,3-benzothiazolo[3,2-a]imidazole
In the title molecule, C(16)H(15)BrN(2)S(2), the central imidazo[2,1-b]thiazole fragment is almost planar (r.m.s. deviation = 0.012 Å), and the fused 5,6,7,8-tetrahydrobenzene ring adopts an unsymmetrical half-chair conformation. The dihedral angle between the imidazo[2,1-b]thiazole and benzene...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011264/ https://www.ncbi.nlm.nih.gov/pubmed/24860393 http://dx.doi.org/10.1107/S1600536814008976 |
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author | Bunev, Alexander S. Sukhonosova, Elena V. Statsyuk, Vladimir E. Ostapenko, Gennady I. Khrustalev, Victor N. |
author_facet | Bunev, Alexander S. Sukhonosova, Elena V. Statsyuk, Vladimir E. Ostapenko, Gennady I. Khrustalev, Victor N. |
author_sort | Bunev, Alexander S. |
collection | PubMed |
description | In the title molecule, C(16)H(15)BrN(2)S(2), the central imidazo[2,1-b]thiazole fragment is almost planar (r.m.s. deviation = 0.012 Å), and the fused 5,6,7,8-tetrahydrobenzene ring adopts an unsymmetrical half-chair conformation. The dihedral angle between the imidazo[2,1-b]thiazole and benzene planes is 18.25 (4)°. The terminal methylsulfanyl substituent lies practically within the benzene plane [the dihedral angle between the corresponding planes is 7.20 (10)°] and is turned toward the C—Br bond. In the crystal, molecules form infinite chains along [100] via secondary Br⋯N interactions [3.1861 (16) Å]. The chains are arranged at van der Waals distances. |
format | Online Article Text |
id | pubmed-4011264 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-40112642014-05-23 3-Bromo-2-[4-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-1,3-benzothiazolo[3,2-a]imidazole Bunev, Alexander S. Sukhonosova, Elena V. Statsyuk, Vladimir E. Ostapenko, Gennady I. Khrustalev, Victor N. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, C(16)H(15)BrN(2)S(2), the central imidazo[2,1-b]thiazole fragment is almost planar (r.m.s. deviation = 0.012 Å), and the fused 5,6,7,8-tetrahydrobenzene ring adopts an unsymmetrical half-chair conformation. The dihedral angle between the imidazo[2,1-b]thiazole and benzene planes is 18.25 (4)°. The terminal methylsulfanyl substituent lies practically within the benzene plane [the dihedral angle between the corresponding planes is 7.20 (10)°] and is turned toward the C—Br bond. In the crystal, molecules form infinite chains along [100] via secondary Br⋯N interactions [3.1861 (16) Å]. The chains are arranged at van der Waals distances. International Union of Crystallography 2014-04-26 /pmc/articles/PMC4011264/ /pubmed/24860393 http://dx.doi.org/10.1107/S1600536814008976 Text en © Bunev et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Bunev, Alexander S. Sukhonosova, Elena V. Statsyuk, Vladimir E. Ostapenko, Gennady I. Khrustalev, Victor N. 3-Bromo-2-[4-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-1,3-benzothiazolo[3,2-a]imidazole |
title | 3-Bromo-2-[4-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-1,3-benzothiazolo[3,2-a]imidazole |
title_full | 3-Bromo-2-[4-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-1,3-benzothiazolo[3,2-a]imidazole |
title_fullStr | 3-Bromo-2-[4-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-1,3-benzothiazolo[3,2-a]imidazole |
title_full_unstemmed | 3-Bromo-2-[4-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-1,3-benzothiazolo[3,2-a]imidazole |
title_short | 3-Bromo-2-[4-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-1,3-benzothiazolo[3,2-a]imidazole |
title_sort | 3-bromo-2-[4-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-1,3-benzothiazolo[3,2-a]imidazole |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011264/ https://www.ncbi.nlm.nih.gov/pubmed/24860393 http://dx.doi.org/10.1107/S1600536814008976 |
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