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Crystal structure and Hirshfeld surface analysis of (E)-3-[(2,3-di­chloro­benzyl­idene)amino]-5-phenyl­thia­zolidin-2-iminium bromide

In the cation of the title salt, C(16)H(14)Cl(2)N(3)S(+)·Br(−), the central thia­zolidine ring adopts an envelope conformation. The phenyl ring is disordered over two sites with a refined occupancy ratio of 0.541 (9):0.459 (9). In the crystal, C—H⋯Br and N—H⋯Br hydrogen bonds link the components int...

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Autores principales: Akkurt, Mehmet, Duruskari, Gulnara Sh., Toze, Flavien A. A., Khalilov, Ali N., Huseynova, Afat T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6072981/
https://www.ncbi.nlm.nih.gov/pubmed/30116586
http://dx.doi.org/10.1107/S2056989018010496
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author Akkurt, Mehmet
Duruskari, Gulnara Sh.
Toze, Flavien A. A.
Khalilov, Ali N.
Huseynova, Afat T.
author_facet Akkurt, Mehmet
Duruskari, Gulnara Sh.
Toze, Flavien A. A.
Khalilov, Ali N.
Huseynova, Afat T.
author_sort Akkurt, Mehmet
collection PubMed
description In the cation of the title salt, C(16)H(14)Cl(2)N(3)S(+)·Br(−), the central thia­zolidine ring adopts an envelope conformation. The phenyl ring is disordered over two sites with a refined occupancy ratio of 0.541 (9):0.459 (9). In the crystal, C—H⋯Br and N—H⋯Br hydrogen bonds link the components into a three-dimensional network with the cations and anions stacked along the b-axis direction. Weak C—H⋯π inter­actions, which only involve the minor disorder component of the ring, also contribute to the mol­ecular packing. In addition, there are also inversion-related Cl⋯Cl halogen bonds and C—Cl⋯π (ring) contacts. A Hirshfeld surface analysis was conducted to verify the contributions of the different inter­molecular inter­actions.
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spelling pubmed-60729812018-08-16 Crystal structure and Hirshfeld surface analysis of (E)-3-[(2,3-di­chloro­benzyl­idene)amino]-5-phenyl­thia­zolidin-2-iminium bromide Akkurt, Mehmet Duruskari, Gulnara Sh. Toze, Flavien A. A. Khalilov, Ali N. Huseynova, Afat T. Acta Crystallogr E Crystallogr Commun Research Communications In the cation of the title salt, C(16)H(14)Cl(2)N(3)S(+)·Br(−), the central thia­zolidine ring adopts an envelope conformation. The phenyl ring is disordered over two sites with a refined occupancy ratio of 0.541 (9):0.459 (9). In the crystal, C—H⋯Br and N—H⋯Br hydrogen bonds link the components into a three-dimensional network with the cations and anions stacked along the b-axis direction. Weak C—H⋯π inter­actions, which only involve the minor disorder component of the ring, also contribute to the mol­ecular packing. In addition, there are also inversion-related Cl⋯Cl halogen bonds and C—Cl⋯π (ring) contacts. A Hirshfeld surface analysis was conducted to verify the contributions of the different inter­molecular inter­actions. International Union of Crystallography 2018-07-27 /pmc/articles/PMC6072981/ /pubmed/30116586 http://dx.doi.org/10.1107/S2056989018010496 Text en © Akkurt et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/
spellingShingle Research Communications
Akkurt, Mehmet
Duruskari, Gulnara Sh.
Toze, Flavien A. A.
Khalilov, Ali N.
Huseynova, Afat T.
Crystal structure and Hirshfeld surface analysis of (E)-3-[(2,3-di­chloro­benzyl­idene)amino]-5-phenyl­thia­zolidin-2-iminium bromide
title Crystal structure and Hirshfeld surface analysis of (E)-3-[(2,3-di­chloro­benzyl­idene)amino]-5-phenyl­thia­zolidin-2-iminium bromide
title_full Crystal structure and Hirshfeld surface analysis of (E)-3-[(2,3-di­chloro­benzyl­idene)amino]-5-phenyl­thia­zolidin-2-iminium bromide
title_fullStr Crystal structure and Hirshfeld surface analysis of (E)-3-[(2,3-di­chloro­benzyl­idene)amino]-5-phenyl­thia­zolidin-2-iminium bromide
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of (E)-3-[(2,3-di­chloro­benzyl­idene)amino]-5-phenyl­thia­zolidin-2-iminium bromide
title_short Crystal structure and Hirshfeld surface analysis of (E)-3-[(2,3-di­chloro­benzyl­idene)amino]-5-phenyl­thia­zolidin-2-iminium bromide
title_sort crystal structure and hirshfeld surface analysis of (e)-3-[(2,3-di­chloro­benzyl­idene)amino]-5-phenyl­thia­zolidin-2-iminium bromide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6072981/
https://www.ncbi.nlm.nih.gov/pubmed/30116586
http://dx.doi.org/10.1107/S2056989018010496
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