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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) (...

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Autores principales: Duruskari, Gulnara Sh., Khalilov, Ali N., Mammadova, Gunay Z., Çelikesir, Sevim Türktekin, Akkurt, Mehmet, Akobirshoeva, Anzurat A., Maharramov, Abel M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
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.
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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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