Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-di­methyl­phen­yl)imino]­meth­yl}-4-methyl­phenol

The title compound, C(16)H(17)NO, is a Schiff base that exists in the enol–imine tautomeric form and adopts a Z configuration. The mol­ecule is non-planar, with the twisted rings making a dihedral angle of 39.92 (4)°. The intra­molecular O—H⋯N hydrogen bond forms an S(6) ring motif. In the crystal,...

Descripción completa

Detalles Bibliográficos
Autores principales: Kansiz, Sevgi, Gul, Adem, Dege, Necmi, Agar, Erbil, Saif, Eiad
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587990/
https://www.ncbi.nlm.nih.gov/pubmed/34868641
http://dx.doi.org/10.1107/S2056989021010215
_version_ 1784598320751050752
author Kansiz, Sevgi
Gul, Adem
Dege, Necmi
Agar, Erbil
Saif, Eiad
author_facet Kansiz, Sevgi
Gul, Adem
Dege, Necmi
Agar, Erbil
Saif, Eiad
author_sort Kansiz, Sevgi
collection PubMed
description The title compound, C(16)H(17)NO, is a Schiff base that exists in the enol–imine tautomeric form and adopts a Z configuration. The mol­ecule is non-planar, with the twisted rings making a dihedral angle of 39.92 (4)°. The intra­molecular O—H⋯N hydrogen bond forms an S(6) ring motif. In the crystal, mol­ecules are linked by C—H⋯π inter­actions and very weak π-π stacking inter­actions also help to consolidate the crystal packing. A Hirshfeld surface analysis was performed to investigate the contributions of different inter­molecular contacts within the supra­molecular structure. The major contributions are from H⋯H (65%), C⋯H (19.2%) and O⋯H (6.6%) inter­actions.
format Online
Article
Text
id pubmed-8587990
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-85879902021-12-02 Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-di­methyl­phen­yl)imino]­meth­yl}-4-methyl­phenol Kansiz, Sevgi Gul, Adem Dege, Necmi Agar, Erbil Saif, Eiad Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(16)H(17)NO, is a Schiff base that exists in the enol–imine tautomeric form and adopts a Z configuration. The mol­ecule is non-planar, with the twisted rings making a dihedral angle of 39.92 (4)°. The intra­molecular O—H⋯N hydrogen bond forms an S(6) ring motif. In the crystal, mol­ecules are linked by C—H⋯π inter­actions and very weak π-π stacking inter­actions also help to consolidate the crystal packing. A Hirshfeld surface analysis was performed to investigate the contributions of different inter­molecular contacts within the supra­molecular structure. The major contributions are from H⋯H (65%), C⋯H (19.2%) and O⋯H (6.6%) inter­actions. International Union of Crystallography 2021-10-13 /pmc/articles/PMC8587990/ /pubmed/34868641 http://dx.doi.org/10.1107/S2056989021010215 Text en © Kansiz et al. 2021 https://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.
spellingShingle Research Communications
Kansiz, Sevgi
Gul, Adem
Dege, Necmi
Agar, Erbil
Saif, Eiad
Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-di­methyl­phen­yl)imino]­meth­yl}-4-methyl­phenol
title Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-di­methyl­phen­yl)imino]­meth­yl}-4-methyl­phenol
title_full Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-di­methyl­phen­yl)imino]­meth­yl}-4-methyl­phenol
title_fullStr Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-di­methyl­phen­yl)imino]­meth­yl}-4-methyl­phenol
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-di­methyl­phen­yl)imino]­meth­yl}-4-methyl­phenol
title_short Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-di­methyl­phen­yl)imino]­meth­yl}-4-methyl­phenol
title_sort crystal structure and hirshfeld surface analysis of (z)-2-{[(2,4-di­methyl­phen­yl)imino]­meth­yl}-4-methyl­phenol
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587990/
https://www.ncbi.nlm.nih.gov/pubmed/34868641
http://dx.doi.org/10.1107/S2056989021010215
work_keys_str_mv AT kansizsevgi crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol
AT guladem crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol
AT degenecmi crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol
AT agarerbil crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol
AT saifeiad crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol

Ejemplares similares