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X-ray crystal and computational structural study of (E)-2-[(2-chlorophenyl)iminomethyl]-4-methoxyphenol
In the molecule of the title compound, C(14)H(12)ClNO, the two aromatic rings are oriented at a dihedral angle of 12.28 (7)°. An intramolecular O—H⋯N hydrogen bond results in the formation of a nearly planar six-membered ring, which is oriented with respect to the aromatic rings at dihedral angles...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962062/ https://www.ncbi.nlm.nih.gov/pubmed/21203278 http://dx.doi.org/10.1107/S1600536808021958 |
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author | Özek, Arzu Büyükgüngör, Orhan Albayrak, Çiğdem Odabaşoğlu, Mustafa |
author_facet | Özek, Arzu Büyükgüngör, Orhan Albayrak, Çiğdem Odabaşoğlu, Mustafa |
author_sort | Özek, Arzu |
collection | PubMed |
description | In the molecule of the title compound, C(14)H(12)ClNO, the two aromatic rings are oriented at a dihedral angle of 12.28 (7)°. An intramolecular O—H⋯N hydrogen bond results in the formation of a nearly planar six-membered ring, which is oriented with respect to the aromatic rings at dihedral angles of 0.18 (5) and 12.10 (6)°. In the crystal structure, weak intermolecular C—H⋯O hydrogen bonds link the molecules into chains along the c axis. There is a C—H⋯π contact between the methyl group and the chlorophenyl ring and a π–π contact between the two benzene rings [centroid–centroid distance = 3.866 (1) Å]. |
format | Text |
id | pubmed-2962062 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29620622010-12-30 X-ray crystal and computational structural study of (E)-2-[(2-chlorophenyl)iminomethyl]-4-methoxyphenol Özek, Arzu Büyükgüngör, Orhan Albayrak, Çiğdem Odabaşoğlu, Mustafa Acta Crystallogr Sect E Struct Rep Online Organic Papers In the molecule of the title compound, C(14)H(12)ClNO, the two aromatic rings are oriented at a dihedral angle of 12.28 (7)°. An intramolecular O—H⋯N hydrogen bond results in the formation of a nearly planar six-membered ring, which is oriented with respect to the aromatic rings at dihedral angles of 0.18 (5) and 12.10 (6)°. In the crystal structure, weak intermolecular C—H⋯O hydrogen bonds link the molecules into chains along the c axis. There is a C—H⋯π contact between the methyl group and the chlorophenyl ring and a π–π contact between the two benzene rings [centroid–centroid distance = 3.866 (1) Å]. International Union of Crystallography 2008-07-23 /pmc/articles/PMC2962062/ /pubmed/21203278 http://dx.doi.org/10.1107/S1600536808021958 Text en © Özek et al. 2008 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 | Organic Papers Özek, Arzu Büyükgüngör, Orhan Albayrak, Çiğdem Odabaşoğlu, Mustafa X-ray crystal and computational structural study of (E)-2-[(2-chlorophenyl)iminomethyl]-4-methoxyphenol |
title | X-ray crystal and computational structural study of (E)-2-[(2-chlorophenyl)iminomethyl]-4-methoxyphenol |
title_full | X-ray crystal and computational structural study of (E)-2-[(2-chlorophenyl)iminomethyl]-4-methoxyphenol |
title_fullStr | X-ray crystal and computational structural study of (E)-2-[(2-chlorophenyl)iminomethyl]-4-methoxyphenol |
title_full_unstemmed | X-ray crystal and computational structural study of (E)-2-[(2-chlorophenyl)iminomethyl]-4-methoxyphenol |
title_short | X-ray crystal and computational structural study of (E)-2-[(2-chlorophenyl)iminomethyl]-4-methoxyphenol |
title_sort | x-ray crystal and computational structural study of (e)-2-[(2-chlorophenyl)iminomethyl]-4-methoxyphenol |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962062/ https://www.ncbi.nlm.nih.gov/pubmed/21203278 http://dx.doi.org/10.1107/S1600536808021958 |
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