Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Bunev, Alexander S., Sukhonosova, Elena V., Statsyuk, Vladimir E., Ostapenko, Gennady I., Khrustalev, Victor N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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
_version_ 1782314784030457856
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
work_keys_str_mv AT bunevalexanders 3bromo24methylsulfanylphenyl5678tetrahydro13benzothiazolo32aimidazole
AT sukhonosovaelenav 3bromo24methylsulfanylphenyl5678tetrahydro13benzothiazolo32aimidazole
AT statsyukvladimire 3bromo24methylsulfanylphenyl5678tetrahydro13benzothiazolo32aimidazole
AT ostapenkogennadyi 3bromo24methylsulfanylphenyl5678tetrahydro13benzothiazolo32aimidazole
AT khrustalevvictorn 3bromo24methylsulfanylphenyl5678tetrahydro13benzothiazolo32aimidazole