Crystal structure of a methimazole-based ionic liquid

The structure of 1-methyl-2-(prop-2-en-1-ylsulfan­yl)-1H-imidazol-3-ium bromide, C(7)H(11)N(2)S(+)·Br(−), has monoclinic (P2(1)/c) symmetry. In the crystal, the components are linked by N—H⋯Br and C—H⋯Br hydrogen bonds. The crystal structure of the title compound undeniably proves that methimazole r...

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Autores principales: Gaitor, Jamie C., Zayas, Manuel Sanchez, Myrthil, Darrel J., White, Frankie, Hendrich, Jeffrey M., Sykora, Richard E., O’Brien, Richard A., Reilly, John T., Mirjafari, Arsalan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719949/
https://www.ncbi.nlm.nih.gov/pubmed/26870468
http://dx.doi.org/10.1107/S2056989015022136
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author Gaitor, Jamie C.
Zayas, Manuel Sanchez
Myrthil, Darrel J.
White, Frankie
Hendrich, Jeffrey M.
Sykora, Richard E.
O’Brien, Richard A.
Reilly, John T.
Mirjafari, Arsalan
author_facet Gaitor, Jamie C.
Zayas, Manuel Sanchez
Myrthil, Darrel J.
White, Frankie
Hendrich, Jeffrey M.
Sykora, Richard E.
O’Brien, Richard A.
Reilly, John T.
Mirjafari, Arsalan
author_sort Gaitor, Jamie C.
collection PubMed
description The structure of 1-methyl-2-(prop-2-en-1-ylsulfan­yl)-1H-imidazol-3-ium bromide, C(7)H(11)N(2)S(+)·Br(−), has monoclinic (P2(1)/c) symmetry. In the crystal, the components are linked by N—H⋯Br and C—H⋯Br hydrogen bonds. The crystal structure of the title compound undeniably proves that methimazole reacts through the thione tautomer, rather than the thiol tautomer in this system.
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spelling pubmed-47199492016-02-11 Crystal structure of a methimazole-based ionic liquid Gaitor, Jamie C. Zayas, Manuel Sanchez Myrthil, Darrel J. White, Frankie Hendrich, Jeffrey M. Sykora, Richard E. O’Brien, Richard A. Reilly, John T. Mirjafari, Arsalan Acta Crystallogr E Crystallogr Commun Data Reports The structure of 1-methyl-2-(prop-2-en-1-ylsulfan­yl)-1H-imidazol-3-ium bromide, C(7)H(11)N(2)S(+)·Br(−), has monoclinic (P2(1)/c) symmetry. In the crystal, the components are linked by N—H⋯Br and C—H⋯Br hydrogen bonds. The crystal structure of the title compound undeniably proves that methimazole reacts through the thione tautomer, rather than the thiol tautomer in this system. International Union of Crystallography 2015-12-06 /pmc/articles/PMC4719949/ /pubmed/26870468 http://dx.doi.org/10.1107/S2056989015022136 Text en © Gaitor et al. 2015 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 Data Reports
Gaitor, Jamie C.
Zayas, Manuel Sanchez
Myrthil, Darrel J.
White, Frankie
Hendrich, Jeffrey M.
Sykora, Richard E.
O’Brien, Richard A.
Reilly, John T.
Mirjafari, Arsalan
Crystal structure of a methimazole-based ionic liquid
title Crystal structure of a methimazole-based ionic liquid
title_full Crystal structure of a methimazole-based ionic liquid
title_fullStr Crystal structure of a methimazole-based ionic liquid
title_full_unstemmed Crystal structure of a methimazole-based ionic liquid
title_short Crystal structure of a methimazole-based ionic liquid
title_sort crystal structure of a methimazole-based ionic liquid
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719949/
https://www.ncbi.nlm.nih.gov/pubmed/26870468
http://dx.doi.org/10.1107/S2056989015022136
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