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(Z)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol
The title compound, C(15)H(12)F(3)NO(3), crystallizes with one molecule in the asymmetric unit. The mean planes of the two phenyl rings of the Schiff base moiety, bearing the OH groups and the imine group, respectively, are inclined to each other by 4.91 (1)°. In the crystal, molecules are linked...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509687/ https://www.ncbi.nlm.nih.gov/pubmed/31161059 http://dx.doi.org/10.1107/S2056989019003220 |
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author | Demir Kanmazalp, Sibel Doĝan, Onur Erman Dege, Necmi Aĝar, Erbil Bulbul, Hakan Golenya, Irina A. |
author_facet | Demir Kanmazalp, Sibel Doĝan, Onur Erman Dege, Necmi Aĝar, Erbil Bulbul, Hakan Golenya, Irina A. |
author_sort | Demir Kanmazalp, Sibel |
collection | PubMed |
description | The title compound, C(15)H(12)F(3)NO(3), crystallizes with one molecule in the asymmetric unit. The mean planes of the two phenyl rings of the Schiff base moiety, bearing the OH groups and the imine group, respectively, are inclined to each other by 4.91 (1)°. In the crystal, molecules are linked via pairs of bifurcated O—H⋯O hydrogen bonds between the phenol OH groups, forming inversion dimers with an R (1) (2)(5) ring motif. The structure exhibits also intramolecular O—H⋯N and C—H⋯F hydrogen-bonding interactions. Hirshfeld surfaces analysis and two-dimensional fingerprint plots were applied to quantify the intermolecular interactions. The three F atoms of the trifluoromethyl group are disordered over two sets of sites, with occupancy factors of 0.578 (8) and 0.422 (8). The crystal studied was refined as an inversion twin |
format | Online Article Text |
id | pubmed-6509687 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-65096872019-06-03 (Z)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol Demir Kanmazalp, Sibel Doĝan, Onur Erman Dege, Necmi Aĝar, Erbil Bulbul, Hakan Golenya, Irina A. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(15)H(12)F(3)NO(3), crystallizes with one molecule in the asymmetric unit. The mean planes of the two phenyl rings of the Schiff base moiety, bearing the OH groups and the imine group, respectively, are inclined to each other by 4.91 (1)°. In the crystal, molecules are linked via pairs of bifurcated O—H⋯O hydrogen bonds between the phenol OH groups, forming inversion dimers with an R (1) (2)(5) ring motif. The structure exhibits also intramolecular O—H⋯N and C—H⋯F hydrogen-bonding interactions. Hirshfeld surfaces analysis and two-dimensional fingerprint plots were applied to quantify the intermolecular interactions. The three F atoms of the trifluoromethyl group are disordered over two sets of sites, with occupancy factors of 0.578 (8) and 0.422 (8). The crystal studied was refined as an inversion twin International Union of Crystallography 2019-03-26 /pmc/articles/PMC6509687/ /pubmed/31161059 http://dx.doi.org/10.1107/S2056989019003220 Text en © Demir Kanmazalp et al. 2019 http://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.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Demir Kanmazalp, Sibel Doĝan, Onur Erman Dege, Necmi Aĝar, Erbil Bulbul, Hakan Golenya, Irina A. (Z)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol |
title | (Z)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol |
title_full | (Z)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol |
title_fullStr | (Z)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol |
title_full_unstemmed | (Z)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol |
title_short | (Z)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol |
title_sort | (z)-3-({[3-methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509687/ https://www.ncbi.nlm.nih.gov/pubmed/31161059 http://dx.doi.org/10.1107/S2056989019003220 |
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