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

The title compound, C16H17NO, 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, mole...

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Autores principales:	Sevgi Kansiz, Adem Gul, Necmi Dege, Erbil Agar, Eiad Saif
Formato:	article
Lenguaje:	EN
Publicado:	International Union of Crystallography 2021
Materias:	crystal structure schiff base enol–imine tautomer c—h...π interactions hirshfeld surface analysis Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/651146dc56c749f19a0c6aab87665db6
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id	oai:doaj.org-article:651146dc56c749f19a0c6aab87665db6
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spelling	oai:doaj.org-article:651146dc56c749f19a0c6aab87665db62021-11-12T11:16:09ZCrystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol2056-989010.1107/S2056989021010215https://doaj.org/article/651146dc56c749f19a0c6aab87665db62021-11-01T00:00:00Zhttp://scripts.iucr.org/cgi-bin/paper?S2056989021010215https://doaj.org/toc/2056-9890The title compound, C16H17NO, 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.Sevgi KansizAdem GulNecmi DegeErbil AgarEiad SaifInternational Union of Crystallographyarticlecrystal structureschiff baseenol–imine tautomerc—h...π interactionshirshfeld surface analysisChemistryQD1-999ENActa Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 11, Pp 1087-1090 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	crystal structure schiff base enol–imine tautomer c—h...π interactions hirshfeld surface analysis Chemistry QD1-999
spellingShingle	crystal structure schiff base enol–imine tautomer c—h...π interactions hirshfeld surface analysis Chemistry QD1-999 Sevgi Kansiz Adem Gul Necmi Dege Erbil Agar Eiad Saif Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol
description	The title compound, C16H17NO, 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	article
author	Sevgi Kansiz Adem Gul Necmi Dege Erbil Agar Eiad Saif
author_facet	Sevgi Kansiz Adem Gul Necmi Dege Erbil Agar Eiad Saif
author_sort	Sevgi Kansiz
title	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_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_sort	crystal structure and hirshfeld surface analysis of (z)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol
publisher	International Union of Crystallography
publishDate	2021
url	https://doaj.org/article/651146dc56c749f19a0c6aab87665db6
work_keys_str_mv	AT sevgikansiz crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol AT ademgul crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol AT necmidege crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol AT erbilagar crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol AT eiadsaif crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol
_version_	1718430622077157376

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

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