Crystal structure and Hirshfeld surface analysis of (E)-2,4-di-tert-butyl-6-[(3-chloro-4-methyl­phenyl­imino)­meth­yl]phenol

The title Schiff base compound, C(22)H(28)ClNO, shows mirror symmetry with all its non-H atoms, except the tert-butyl groups, located on the mirror plane. There is an intra­molecular O—H⋯N hydrogen bond present forming an S(6) ring motif. In the crystal, the mol­ecules are connected by C—H⋯π inter­a...

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Autores principales: Kansiz, Sevgi, Macit, Mustafa, Dege, Necmi, Pavlenko, Vadim A.
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/PMC6281108/
https://www.ncbi.nlm.nih.gov/pubmed/30574394
http://dx.doi.org/10.1107/S2056989018016377
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author Kansiz, Sevgi
Macit, Mustafa
Dege, Necmi
Pavlenko, Vadim A.
author_facet Kansiz, Sevgi
Macit, Mustafa
Dege, Necmi
Pavlenko, Vadim A.
author_sort Kansiz, Sevgi
collection PubMed
description The title Schiff base compound, C(22)H(28)ClNO, shows mirror symmetry with all its non-H atoms, except the tert-butyl groups, located on the mirror plane. There is an intra­molecular O—H⋯N hydrogen bond present forming an S(6) ring motif. In the crystal, the mol­ecules are connected by C—H⋯π inter­actions, generating a three-dimensional supra­molecular structure. Hirshfeld surface analysis and two dimensional fingerprint plots were used to analyse the inter­molecular inter­actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯H (68.9%) and C⋯H/H⋯C (11.7%) inter­actions.
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spelling pubmed-62811082018-12-20 Crystal structure and Hirshfeld surface analysis of (E)-2,4-di-tert-butyl-6-[(3-chloro-4-methyl­phenyl­imino)­meth­yl]phenol Kansiz, Sevgi Macit, Mustafa Dege, Necmi Pavlenko, Vadim A. Acta Crystallogr E Crystallogr Commun Research Communications The title Schiff base compound, C(22)H(28)ClNO, shows mirror symmetry with all its non-H atoms, except the tert-butyl groups, located on the mirror plane. There is an intra­molecular O—H⋯N hydrogen bond present forming an S(6) ring motif. In the crystal, the mol­ecules are connected by C—H⋯π inter­actions, generating a three-dimensional supra­molecular structure. Hirshfeld surface analysis and two dimensional fingerprint plots were used to analyse the inter­molecular inter­actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯H (68.9%) and C⋯H/H⋯C (11.7%) inter­actions. International Union of Crystallography 2018-11-30 /pmc/articles/PMC6281108/ /pubmed/30574394 http://dx.doi.org/10.1107/S2056989018016377 Text en © Kansiz 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
Kansiz, Sevgi
Macit, Mustafa
Dege, Necmi
Pavlenko, Vadim A.
Crystal structure and Hirshfeld surface analysis of (E)-2,4-di-tert-butyl-6-[(3-chloro-4-methyl­phenyl­imino)­meth­yl]phenol
title Crystal structure and Hirshfeld surface analysis of (E)-2,4-di-tert-butyl-6-[(3-chloro-4-methyl­phenyl­imino)­meth­yl]phenol
title_full Crystal structure and Hirshfeld surface analysis of (E)-2,4-di-tert-butyl-6-[(3-chloro-4-methyl­phenyl­imino)­meth­yl]phenol
title_fullStr Crystal structure and Hirshfeld surface analysis of (E)-2,4-di-tert-butyl-6-[(3-chloro-4-methyl­phenyl­imino)­meth­yl]phenol
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of (E)-2,4-di-tert-butyl-6-[(3-chloro-4-methyl­phenyl­imino)­meth­yl]phenol
title_short Crystal structure and Hirshfeld surface analysis of (E)-2,4-di-tert-butyl-6-[(3-chloro-4-methyl­phenyl­imino)­meth­yl]phenol
title_sort crystal structure and hirshfeld surface analysis of (e)-2,4-di-tert-butyl-6-[(3-chloro-4-methyl­phenyl­imino)­meth­yl]phenol
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6281108/
https://www.ncbi.nlm.nih.gov/pubmed/30574394
http://dx.doi.org/10.1107/S2056989018016377
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AT degenecmi crystalstructureandhirshfeldsurfaceanalysisofe24ditertbutyl63chloro4methylphenyliminomethylphenol
AT pavlenkovadima crystalstructureandhirshfeldsurfaceanalysisofe24ditertbutyl63chloro4methylphenyliminomethylphenol

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