4-{[7-(Trifluoro­meth­yl)quinolin-4-yl]amino}­benzene­sulfonamide–ethanol–methanol (1/0.47/0.53)

In the title compound, C(16)H(12)F(3)N(3)O(2)S·0.47C(2)H(5)OH·0.53CH(3)OH, the quinoline ring system is approximately planar, with a maximum deviation of 0.035 (3) Å, and makes a dihedral angle of 52.67 (9)° with the benzene ring. The F atoms of the –CF(3) group are disordered over two orientations,...

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Autores principales: Ghorab, Mostafa M., Al-Said, Mansour S., Al-Mishari, Abdullah A., Quah, Ching Kheng, Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414320/
https://www.ncbi.nlm.nih.gov/pubmed/22904853
http://dx.doi.org/10.1107/S1600536812029698
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author Ghorab, Mostafa M.
Al-Said, Mansour S.
Al-Mishari, Abdullah A.
Quah, Ching Kheng
Fun, Hoong-Kun
author_facet Ghorab, Mostafa M.
Al-Said, Mansour S.
Al-Mishari, Abdullah A.
Quah, Ching Kheng
Fun, Hoong-Kun
author_sort Ghorab, Mostafa M.
collection PubMed
description In the title compound, C(16)H(12)F(3)N(3)O(2)S·0.47C(2)H(5)OH·0.53CH(3)OH, the quinoline ring system is approximately planar, with a maximum deviation of 0.035 (3) Å, and makes a dihedral angle of 52.67 (9)° with the benzene ring. The F atoms of the –CF(3) group are disordered over two orientations, with refined site occupancies of 0.56 (2) and 0.44 (2). A single solvate site is occupied at random by ethanol or methanol, with refined site occupancies of 0.470 (6) and 0.530 (6), respectively. In the crystal, mol­ecules are linked via N—H⋯O, N—H⋯N, O—H⋯O and C—H⋯O hydrogen bonds, thereby forming sheets lying parallel to (010).
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spelling pubmed-34143202012-08-17 4-{[7-(Trifluoro­meth­yl)quinolin-4-yl]amino}­benzene­sulfonamide–ethanol–methanol (1/0.47/0.53) Ghorab, Mostafa M. Al-Said, Mansour S. Al-Mishari, Abdullah A. Quah, Ching Kheng Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(12)F(3)N(3)O(2)S·0.47C(2)H(5)OH·0.53CH(3)OH, the quinoline ring system is approximately planar, with a maximum deviation of 0.035 (3) Å, and makes a dihedral angle of 52.67 (9)° with the benzene ring. The F atoms of the –CF(3) group are disordered over two orientations, with refined site occupancies of 0.56 (2) and 0.44 (2). A single solvate site is occupied at random by ethanol or methanol, with refined site occupancies of 0.470 (6) and 0.530 (6), respectively. In the crystal, mol­ecules are linked via N—H⋯O, N—H⋯N, O—H⋯O and C—H⋯O hydrogen bonds, thereby forming sheets lying parallel to (010). International Union of Crystallography 2012-07-10 /pmc/articles/PMC3414320/ /pubmed/22904853 http://dx.doi.org/10.1107/S1600536812029698 Text en © Ghorab et al. 2012 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
Ghorab, Mostafa M.
Al-Said, Mansour S.
Al-Mishari, Abdullah A.
Quah, Ching Kheng
Fun, Hoong-Kun
4-{[7-(Trifluoro­meth­yl)quinolin-4-yl]amino}­benzene­sulfonamide–ethanol–methanol (1/0.47/0.53)
title 4-{[7-(Trifluoro­meth­yl)quinolin-4-yl]amino}­benzene­sulfonamide–ethanol–methanol (1/0.47/0.53)
title_full 4-{[7-(Trifluoro­meth­yl)quinolin-4-yl]amino}­benzene­sulfonamide–ethanol–methanol (1/0.47/0.53)
title_fullStr 4-{[7-(Trifluoro­meth­yl)quinolin-4-yl]amino}­benzene­sulfonamide–ethanol–methanol (1/0.47/0.53)
title_full_unstemmed 4-{[7-(Trifluoro­meth­yl)quinolin-4-yl]amino}­benzene­sulfonamide–ethanol–methanol (1/0.47/0.53)
title_short 4-{[7-(Trifluoro­meth­yl)quinolin-4-yl]amino}­benzene­sulfonamide–ethanol–methanol (1/0.47/0.53)
title_sort 4-{[7-(trifluoro­meth­yl)quinolin-4-yl]amino}­benzene­sulfonamide–ethanol–methanol (1/0.47/0.53)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414320/
https://www.ncbi.nlm.nih.gov/pubmed/22904853
http://dx.doi.org/10.1107/S1600536812029698
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