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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...

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Autores principales: Demir Kanmazalp, Sibel, Doĝan, Onur Erman, Dege, Necmi, Aĝar, Erbil, Bulbul, Hakan, Golenya, Irina A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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
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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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