Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1783344090700578816 |
---|---|
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. |
format | Online Article Text |
id | pubmed-6072981 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT akkurtmehmet crystalstructureandhirshfeldsurfaceanalysisofe323dichlorobenzylideneamino5phenylthiazolidin2iminiumbromide AT duruskarigulnarash crystalstructureandhirshfeldsurfaceanalysisofe323dichlorobenzylideneamino5phenylthiazolidin2iminiumbromide AT tozeflavienaa crystalstructureandhirshfeldsurfaceanalysisofe323dichlorobenzylideneamino5phenylthiazolidin2iminiumbromide AT khalilovalin crystalstructureandhirshfeldsurfaceanalysisofe323dichlorobenzylideneamino5phenylthiazolidin2iminiumbromide AT huseynovaafatt crystalstructureandhirshfeldsurfaceanalysisofe323dichlorobenzylideneamino5phenylthiazolidin2iminiumbromide |