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Crystal structure of 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium bromide

Herein we report the crystal structure of 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium bromide, C(12)H(13)N(2)S(+)·Br(−), which crystallizes in the monoclinic P2(1)/c centrosymmetric space group. The asymmetric unit contains one 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium cation and one bromide ani...

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Autor principal: Eigner, Václav
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462150/
https://www.ncbi.nlm.nih.gov/pubmed/36340011
http://dx.doi.org/10.1107/S2414314620015114
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author Eigner, Václav
author_facet Eigner, Václav
author_sort Eigner, Václav
collection PubMed
description Herein we report the crystal structure of 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium bromide, C(12)H(13)N(2)S(+)·Br(−), which crystallizes in the monoclinic P2(1)/c centrosymmetric space group. The asymmetric unit contains one 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium cation and one bromide anion. The methyl­ene carbon lies in plane of the naphthalene core. In comparison with reference structures, elongation of C—S bonds as well as tilting of the iso­thio­uronium group is observed. Given the ionic nature of the compound, the structure is held by charge-assisted N—H⋯Br hydrogen bonds, with a noteworthy contribution of dipole–dipole inter­actions, which form bilayers in the structure. The bilayers are held by the weak London forces. [Image: see text]
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spelling pubmed-94621502022-11-04 Crystal structure of 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium bromide Eigner, Václav IUCrdata Data Reports Herein we report the crystal structure of 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium bromide, C(12)H(13)N(2)S(+)·Br(−), which crystallizes in the monoclinic P2(1)/c centrosymmetric space group. The asymmetric unit contains one 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium cation and one bromide anion. The methyl­ene carbon lies in plane of the naphthalene core. In comparison with reference structures, elongation of C—S bonds as well as tilting of the iso­thio­uronium group is observed. Given the ionic nature of the compound, the structure is held by charge-assisted N—H⋯Br hydrogen bonds, with a noteworthy contribution of dipole–dipole inter­actions, which form bilayers in the structure. The bilayers are held by the weak London forces. [Image: see text] International Union of Crystallography 2020-11-17 /pmc/articles/PMC9462150/ /pubmed/36340011 http://dx.doi.org/10.1107/S2414314620015114 Text en © Václav Eigner 2020 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Eigner, Václav
Crystal structure of 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium bromide
title Crystal structure of 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium bromide
title_full Crystal structure of 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium bromide
title_fullStr Crystal structure of 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium bromide
title_full_unstemmed Crystal structure of 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium bromide
title_short Crystal structure of 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium bromide
title_sort crystal structure of 2-[(naphthalen-2-yl)meth­yl]iso­thio­uronium bromide
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462150/
https://www.ncbi.nlm.nih.gov/pubmed/36340011
http://dx.doi.org/10.1107/S2414314620015114
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