5-Bromo-4-(3,5-di­bromo-2-hy­droxy­phen­yl)-2-(piperidin-1-yl)-1,3-di­thiol-2-ylium bromide

In the title salt, C(14)H(13)Br(3)NOS(2) (+)·Br(−), synthesized by bromination of mesoionic 2-[2-(piperidin-1-yl)-1,3-di­thiol-2-ylium-4-yl]phenolate in glacial acetic acid, the dihedral angle between the 1,3-di­thiol­ium ring and the phenolic substituent ring is 45.9 (3)° due to the steric influenc...

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Detalles Bibliográficos
Autores principales: Chirita, Paul, Hrib, Cristian G., Birsa, Lucian M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770374/
https://www.ncbi.nlm.nih.gov/pubmed/24046659
http://dx.doi.org/10.1107/S1600536813016048
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author Chirita, Paul
Hrib, Cristian G.
Birsa, Lucian M.
author_facet Chirita, Paul
Hrib, Cristian G.
Birsa, Lucian M.
author_sort Chirita, Paul
collection PubMed
description In the title salt, C(14)H(13)Br(3)NOS(2) (+)·Br(−), synthesized by bromination of mesoionic 2-[2-(piperidin-1-yl)-1,3-di­thiol-2-ylium-4-yl]phenolate in glacial acetic acid, the dihedral angle between the 1,3-di­thiol­ium ring and the phenolic substituent ring is 45.9 (3)° due to the steric influence of the ortho-Br group on the 1,3-di­thiol­ium ring. The piperidine ring adopts a chair conformation. In the crystal, the cation and anion are linked by an O—H⋯Br hydrogen bond.
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spelling pubmed-37703742013-09-17 5-Bromo-4-(3,5-di­bromo-2-hy­droxy­phen­yl)-2-(piperidin-1-yl)-1,3-di­thiol-2-ylium bromide Chirita, Paul Hrib, Cristian G. Birsa, Lucian M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt, C(14)H(13)Br(3)NOS(2) (+)·Br(−), synthesized by bromination of mesoionic 2-[2-(piperidin-1-yl)-1,3-di­thiol-2-ylium-4-yl]phenolate in glacial acetic acid, the dihedral angle between the 1,3-di­thiol­ium ring and the phenolic substituent ring is 45.9 (3)° due to the steric influence of the ortho-Br group on the 1,3-di­thiol­ium ring. The piperidine ring adopts a chair conformation. In the crystal, the cation and anion are linked by an O—H⋯Br hydrogen bond. International Union of Crystallography 2013-06-15 /pmc/articles/PMC3770374/ /pubmed/24046659 http://dx.doi.org/10.1107/S1600536813016048 Text en © Chirita et al. 2013 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
Chirita, Paul
Hrib, Cristian G.
Birsa, Lucian M.
5-Bromo-4-(3,5-di­bromo-2-hy­droxy­phen­yl)-2-(piperidin-1-yl)-1,3-di­thiol-2-ylium bromide
title 5-Bromo-4-(3,5-di­bromo-2-hy­droxy­phen­yl)-2-(piperidin-1-yl)-1,3-di­thiol-2-ylium bromide
title_full 5-Bromo-4-(3,5-di­bromo-2-hy­droxy­phen­yl)-2-(piperidin-1-yl)-1,3-di­thiol-2-ylium bromide
title_fullStr 5-Bromo-4-(3,5-di­bromo-2-hy­droxy­phen­yl)-2-(piperidin-1-yl)-1,3-di­thiol-2-ylium bromide
title_full_unstemmed 5-Bromo-4-(3,5-di­bromo-2-hy­droxy­phen­yl)-2-(piperidin-1-yl)-1,3-di­thiol-2-ylium bromide
title_short 5-Bromo-4-(3,5-di­bromo-2-hy­droxy­phen­yl)-2-(piperidin-1-yl)-1,3-di­thiol-2-ylium bromide
title_sort 5-bromo-4-(3,5-di­bromo-2-hy­droxy­phen­yl)-2-(piperidin-1-yl)-1,3-di­thiol-2-ylium bromide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770374/
https://www.ncbi.nlm.nih.gov/pubmed/24046659
http://dx.doi.org/10.1107/S1600536813016048
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AT birsalucianm 5bromo435dibromo2hydroxyphenyl2piperidin1yl13dithiol2yliumbromide

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