Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis­(3,4,5-tri­meth­oxy­phen­yl)piperidinium chloride

The title compound, C(31)H(46)NO(7) (+)·Cl(−), was synthesized by a one-pot Mannich condensation reaction. In the mol­ecule, the piperidinone ring adopts a chair conformation, and the trimeth­oxy-substituted benzene rings and octyl chain are arranged equatorially. In the crystal, centrosymmetric dim...

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Autores principales: Siddiqui, Rubina, Iqbal, Urooj, Saify, Zafar Saeed, Akhter, Shammim, Yousuf, Sammer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038624/
https://www.ncbi.nlm.nih.gov/pubmed/30002888
http://dx.doi.org/10.1107/S2056989018008125
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author Siddiqui, Rubina
Iqbal, Urooj
Saify, Zafar Saeed
Akhter, Shammim
Yousuf, Sammer
author_facet Siddiqui, Rubina
Iqbal, Urooj
Saify, Zafar Saeed
Akhter, Shammim
Yousuf, Sammer
author_sort Siddiqui, Rubina
collection PubMed
description The title compound, C(31)H(46)NO(7) (+)·Cl(−), was synthesized by a one-pot Mannich condensation reaction. In the mol­ecule, the piperidinone ring adopts a chair conformation, and the trimeth­oxy-substituted benzene rings and octyl chain are arranged equatorially. In the crystal, centrosymmetric dimers are linked into layers parallel to (011) by N—H⋯Cl and C—H⋯Cl hydrogen bonds. A Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are O⋯H (20.5%) inter­actions followed by C⋯H (7.8%), Cl⋯H (5.5%), C⋯C (1.2%), C⋯O (0.5%) and Cl⋯O (0.4%) inter­actions.
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spelling pubmed-60386242018-07-12 Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis­(3,4,5-tri­meth­oxy­phen­yl)piperidinium chloride Siddiqui, Rubina Iqbal, Urooj Saify, Zafar Saeed Akhter, Shammim Yousuf, Sammer Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(31)H(46)NO(7) (+)·Cl(−), was synthesized by a one-pot Mannich condensation reaction. In the mol­ecule, the piperidinone ring adopts a chair conformation, and the trimeth­oxy-substituted benzene rings and octyl chain are arranged equatorially. In the crystal, centrosymmetric dimers are linked into layers parallel to (011) by N—H⋯Cl and C—H⋯Cl hydrogen bonds. A Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are O⋯H (20.5%) inter­actions followed by C⋯H (7.8%), Cl⋯H (5.5%), C⋯C (1.2%), C⋯O (0.5%) and Cl⋯O (0.4%) inter­actions. International Union of Crystallography 2018-06-08 /pmc/articles/PMC6038624/ /pubmed/30002888 http://dx.doi.org/10.1107/S2056989018008125 Text en © Siddiqui 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
Siddiqui, Rubina
Iqbal, Urooj
Saify, Zafar Saeed
Akhter, Shammim
Yousuf, Sammer
Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis­(3,4,5-tri­meth­oxy­phen­yl)piperidinium chloride
title Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis­(3,4,5-tri­meth­oxy­phen­yl)piperidinium chloride
title_full Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis­(3,4,5-tri­meth­oxy­phen­yl)piperidinium chloride
title_fullStr Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis­(3,4,5-tri­meth­oxy­phen­yl)piperidinium chloride
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis­(3,4,5-tri­meth­oxy­phen­yl)piperidinium chloride
title_short Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis­(3,4,5-tri­meth­oxy­phen­yl)piperidinium chloride
title_sort crystal structure and hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis­(3,4,5-tri­meth­oxy­phen­yl)piperidinium chloride
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038624/
https://www.ncbi.nlm.nih.gov/pubmed/30002888
http://dx.doi.org/10.1107/S2056989018008125
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