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Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide N,N-dimethylformamide monosolvate
In the cation of the title salt, C(17)H(18)N(3)S(+)·Br(−)·C(3)H(7)NO, the central thiazolidine ring adopts an envelope conformation with puckering parameters Q(2) = 0.310 (3) Å and φ(2) = 42.2 (6)°. In the crystal, each cation is connected to two anions by N—H⋯ Br hydrogen bonds, forming an R (4) (...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7534233/ https://www.ncbi.nlm.nih.gov/pubmed/33117592 http://dx.doi.org/10.1107/S2056989020012712 |
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author | Duruskari, Gulnara Sh. Khalilov, Ali N. Mammadova, Gunay Z. Çelikesir, Sevim Türktekin Akkurt, Mehmet Akobirshoeva, Anzurat A. Maharramov, Abel M. |
author_facet | Duruskari, Gulnara Sh. Khalilov, Ali N. Mammadova, Gunay Z. Çelikesir, Sevim Türktekin Akkurt, Mehmet Akobirshoeva, Anzurat A. Maharramov, Abel M. |
author_sort | Duruskari, Gulnara Sh. |
collection | PubMed |
description | In the cation of the title salt, C(17)H(18)N(3)S(+)·Br(−)·C(3)H(7)NO, the central thiazolidine ring adopts an envelope conformation with puckering parameters Q(2) = 0.310 (3) Å and φ(2) = 42.2 (6)°. In the crystal, each cation is connected to two anions by N—H⋯ Br hydrogen bonds, forming an R (4) (2)(8) motif parallel to the (10[Image: see text]) plane. van der Waals interactions between the cations, anions and N,N-dimethylformamide molecules further stabilize the crystal structure in three dimensions. The most important contributions to the surface contacts are from H⋯H (55.6%), C⋯H/H⋯C (17.9%) and Br⋯H/H⋯Br (7.0%) interactions, as concluded from a Hirshfeld analysis. |
format | Online Article Text |
id | pubmed-7534233 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-75342332020-10-27 Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide N,N-dimethylformamide monosolvate Duruskari, Gulnara Sh. Khalilov, Ali N. Mammadova, Gunay Z. Çelikesir, Sevim Türktekin Akkurt, Mehmet Akobirshoeva, Anzurat A. Maharramov, Abel M. Acta Crystallogr E Crystallogr Commun Research Communications In the cation of the title salt, C(17)H(18)N(3)S(+)·Br(−)·C(3)H(7)NO, the central thiazolidine ring adopts an envelope conformation with puckering parameters Q(2) = 0.310 (3) Å and φ(2) = 42.2 (6)°. In the crystal, each cation is connected to two anions by N—H⋯ Br hydrogen bonds, forming an R (4) (2)(8) motif parallel to the (10[Image: see text]) plane. van der Waals interactions between the cations, anions and N,N-dimethylformamide molecules further stabilize the crystal structure in three dimensions. The most important contributions to the surface contacts are from H⋯H (55.6%), C⋯H/H⋯C (17.9%) and Br⋯H/H⋯Br (7.0%) interactions, as concluded from a Hirshfeld analysis. International Union of Crystallography 2020-09-30 /pmc/articles/PMC7534233/ /pubmed/33117592 http://dx.doi.org/10.1107/S2056989020012712 Text en © Duruskari et al. 2020 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. Mammadova, Gunay Z. Çelikesir, Sevim Türktekin Akkurt, Mehmet Akobirshoeva, Anzurat A. Maharramov, Abel M. Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide N,N-dimethylformamide monosolvate |
title | Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide N,N-dimethylformamide monosolvate |
title_full | Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide N,N-dimethylformamide monosolvate |
title_fullStr | Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide N,N-dimethylformamide monosolvate |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide N,N-dimethylformamide monosolvate |
title_short | Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide N,N-dimethylformamide monosolvate |
title_sort | crystal structure and hirshfeld surface analysis of (e)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide n,n-dimethylformamide monosolvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7534233/ https://www.ncbi.nlm.nih.gov/pubmed/33117592 http://dx.doi.org/10.1107/S2056989020012712 |
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