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Crystal structure of (2Z)-2-{(5Z)-5-[3-fluoro-2-(4-phenyl­piperidin-1-yl)benzyl­idene]-4-oxo-3-(p-tol­yl)-1,3-thia­zolidin-2-yl­idene}-N-(p-tol­yl)ethane­thio­amide dimethyl sulfoxide monosolvate

The title compound, C(37)H(34)FN(3)OS(2)·C(2)H(6)OS, was obtained by the Knoevenagel condensation. The thia­zolidine ring is essentially planar (r.m.s. deviation = 0.025 Å) and forms dihedral angles of 4.2 (3), 68.60 (14) and 39.57 (15)° with the attached thio­amide group, p-tolyl group benzene ring...

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Autores principales: Khamidullina, Liliya, Obydennov, Konstantin, Slepukhin, Pavel, Morzherin, Yury
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647368/
https://www.ncbi.nlm.nih.gov/pubmed/26594454
http://dx.doi.org/10.1107/S2056989015016850
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author Khamidullina, Liliya
Obydennov, Konstantin
Slepukhin, Pavel
Morzherin, Yury
author_facet Khamidullina, Liliya
Obydennov, Konstantin
Slepukhin, Pavel
Morzherin, Yury
author_sort Khamidullina, Liliya
collection PubMed
description The title compound, C(37)H(34)FN(3)OS(2)·C(2)H(6)OS, was obtained by the Knoevenagel condensation. The thia­zolidine ring is essentially planar (r.m.s. deviation = 0.025 Å) and forms dihedral angles of 4.2 (3), 68.60 (14) and 39.57 (15)° with the attached thio­amide group, p-tolyl group benzene ring and fluoro-substituted benzene ring, respectively. The exocyclic double bonds are in a Z configuration. In the crystal, the dimethyl sulfoxide solvent mol­ecule is connected to the main mol­ecule via an N—H⋯O hydrogen bond. Weak C—H⋯O hydrogen bonds link the components of the structure into a two-dimensional network parallel to (10-1). Weak intra­molecular C—H⋯S hydrogen bonds are also observed. The crystal is an inversion twin with a ratio of twin components 0.78 (2):0.22 (6).
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spelling pubmed-46473682015-11-20 Crystal structure of (2Z)-2-{(5Z)-5-[3-fluoro-2-(4-phenyl­piperidin-1-yl)benzyl­idene]-4-oxo-3-(p-tol­yl)-1,3-thia­zolidin-2-yl­idene}-N-(p-tol­yl)ethane­thio­amide dimethyl sulfoxide monosolvate Khamidullina, Liliya Obydennov, Konstantin Slepukhin, Pavel Morzherin, Yury Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(37)H(34)FN(3)OS(2)·C(2)H(6)OS, was obtained by the Knoevenagel condensation. The thia­zolidine ring is essentially planar (r.m.s. deviation = 0.025 Å) and forms dihedral angles of 4.2 (3), 68.60 (14) and 39.57 (15)° with the attached thio­amide group, p-tolyl group benzene ring and fluoro-substituted benzene ring, respectively. The exocyclic double bonds are in a Z configuration. In the crystal, the dimethyl sulfoxide solvent mol­ecule is connected to the main mol­ecule via an N—H⋯O hydrogen bond. Weak C—H⋯O hydrogen bonds link the components of the structure into a two-dimensional network parallel to (10-1). Weak intra­molecular C—H⋯S hydrogen bonds are also observed. The crystal is an inversion twin with a ratio of twin components 0.78 (2):0.22 (6). International Union of Crystallography 2015-09-12 /pmc/articles/PMC4647368/ /pubmed/26594454 http://dx.doi.org/10.1107/S2056989015016850 Text en © Khamidullina et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Khamidullina, Liliya
Obydennov, Konstantin
Slepukhin, Pavel
Morzherin, Yury
Crystal structure of (2Z)-2-{(5Z)-5-[3-fluoro-2-(4-phenyl­piperidin-1-yl)benzyl­idene]-4-oxo-3-(p-tol­yl)-1,3-thia­zolidin-2-yl­idene}-N-(p-tol­yl)ethane­thio­amide dimethyl sulfoxide monosolvate
title Crystal structure of (2Z)-2-{(5Z)-5-[3-fluoro-2-(4-phenyl­piperidin-1-yl)benzyl­idene]-4-oxo-3-(p-tol­yl)-1,3-thia­zolidin-2-yl­idene}-N-(p-tol­yl)ethane­thio­amide dimethyl sulfoxide monosolvate
title_full Crystal structure of (2Z)-2-{(5Z)-5-[3-fluoro-2-(4-phenyl­piperidin-1-yl)benzyl­idene]-4-oxo-3-(p-tol­yl)-1,3-thia­zolidin-2-yl­idene}-N-(p-tol­yl)ethane­thio­amide dimethyl sulfoxide monosolvate
title_fullStr Crystal structure of (2Z)-2-{(5Z)-5-[3-fluoro-2-(4-phenyl­piperidin-1-yl)benzyl­idene]-4-oxo-3-(p-tol­yl)-1,3-thia­zolidin-2-yl­idene}-N-(p-tol­yl)ethane­thio­amide dimethyl sulfoxide monosolvate
title_full_unstemmed Crystal structure of (2Z)-2-{(5Z)-5-[3-fluoro-2-(4-phenyl­piperidin-1-yl)benzyl­idene]-4-oxo-3-(p-tol­yl)-1,3-thia­zolidin-2-yl­idene}-N-(p-tol­yl)ethane­thio­amide dimethyl sulfoxide monosolvate
title_short Crystal structure of (2Z)-2-{(5Z)-5-[3-fluoro-2-(4-phenyl­piperidin-1-yl)benzyl­idene]-4-oxo-3-(p-tol­yl)-1,3-thia­zolidin-2-yl­idene}-N-(p-tol­yl)ethane­thio­amide dimethyl sulfoxide monosolvate
title_sort crystal structure of (2z)-2-{(5z)-5-[3-fluoro-2-(4-phenyl­piperidin-1-yl)benzyl­idene]-4-oxo-3-(p-tol­yl)-1,3-thia­zolidin-2-yl­idene}-n-(p-tol­yl)ethane­thio­amide dimethyl sulfoxide monosolvate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647368/
https://www.ncbi.nlm.nih.gov/pubmed/26594454
http://dx.doi.org/10.1107/S2056989015016850
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