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Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenyl­thia­zolidin-2-iminium bromide

In the cation of the title salt, C(9)H(12)N(3)S(+)·Br(−), the thia­zolidine ring adopts an envelope conformation with the C atom adjacent to the phenyl ring as the flap. In the crystal, N—H⋯Br hydrogen bonds link the components into a three-dimensional network. Weak π–π stacking inter­actions betwee...

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Autores principales: Duruskari, Gulnara Sh., Khalilov, Ali N., Akkurt, Mehmet, Mammadova, Gunay Z., Chyrka, Taras, Maharramov, Abel M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6775745/
https://www.ncbi.nlm.nih.gov/pubmed/31636991
http://dx.doi.org/10.1107/S2056989019013069
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author Duruskari, Gulnara Sh.
Khalilov, Ali N.
Akkurt, Mehmet
Mammadova, Gunay Z.
Chyrka, Taras
Maharramov, Abel M.
author_facet Duruskari, Gulnara Sh.
Khalilov, Ali N.
Akkurt, Mehmet
Mammadova, Gunay Z.
Chyrka, Taras
Maharramov, Abel M.
author_sort Duruskari, Gulnara Sh.
collection PubMed
description In the cation of the title salt, C(9)H(12)N(3)S(+)·Br(−), the thia­zolidine ring adopts an envelope conformation with the C atom adjacent to the phenyl ring as the flap. In the crystal, N—H⋯Br hydrogen bonds link the components into a three-dimensional network. Weak π–π stacking inter­actions between the phenyl rings of adjacent cations also contribute to the mol­ecular packing. A Hirshfeld surface analysis was conducted to qu­antify the contributions of the different inter­molecular inter­actions and contacts.
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spelling pubmed-67757452019-10-21 Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenyl­thia­zolidin-2-iminium bromide Duruskari, Gulnara Sh. Khalilov, Ali N. Akkurt, Mehmet Mammadova, Gunay Z. Chyrka, Taras Maharramov, Abel M. Acta Crystallogr E Crystallogr Commun Research Communications In the cation of the title salt, C(9)H(12)N(3)S(+)·Br(−), the thia­zolidine ring adopts an envelope conformation with the C atom adjacent to the phenyl ring as the flap. In the crystal, N—H⋯Br hydrogen bonds link the components into a three-dimensional network. Weak π–π stacking inter­actions between the phenyl rings of adjacent cations also contribute to the mol­ecular packing. A Hirshfeld surface analysis was conducted to qu­antify the contributions of the different inter­molecular inter­actions and contacts. International Union of Crystallography 2019-09-27 /pmc/articles/PMC6775745/ /pubmed/31636991 http://dx.doi.org/10.1107/S2056989019013069 Text en © Duruskari et al. 2019 http://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.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Duruskari, Gulnara Sh.
Khalilov, Ali N.
Akkurt, Mehmet
Mammadova, Gunay Z.
Chyrka, Taras
Maharramov, Abel M.
Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenyl­thia­zolidin-2-iminium bromide
title Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenyl­thia­zolidin-2-iminium bromide
title_full Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenyl­thia­zolidin-2-iminium bromide
title_fullStr Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenyl­thia­zolidin-2-iminium bromide
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenyl­thia­zolidin-2-iminium bromide
title_short Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenyl­thia­zolidin-2-iminium bromide
title_sort crystal structure and hirshfeld surface analysis of 3-amino-5-phenyl­thia­zolidin-2-iminium bromide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6775745/
https://www.ncbi.nlm.nih.gov/pubmed/31636991
http://dx.doi.org/10.1107/S2056989019013069
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