Cargando…
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...
Autores principales: | , , , , , |
---|---|
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 |
_version_ | 1783456316330606592 |
---|---|
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. |
format | Online Article Text |
id | pubmed-6775745 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT duruskarigulnarash crystalstructureandhirshfeldsurfaceanalysisof3amino5phenylthiazolidin2iminiumbromide AT khalilovalin crystalstructureandhirshfeldsurfaceanalysisof3amino5phenylthiazolidin2iminiumbromide AT akkurtmehmet crystalstructureandhirshfeldsurfaceanalysisof3amino5phenylthiazolidin2iminiumbromide AT mammadovagunayz crystalstructureandhirshfeldsurfaceanalysisof3amino5phenylthiazolidin2iminiumbromide AT chyrkataras crystalstructureandhirshfeldsurfaceanalysisof3amino5phenylthiazolidin2iminiumbromide AT maharramovabelm crystalstructureandhirshfeldsurfaceanalysisof3amino5phenylthiazolidin2iminiumbromide |