1-[3-(2-Benz­yloxy-6-hy­droxy-4-methyl­phen­yl)-5-[3,5-bis­(tri­fluoro­meth­yl)phen­yl]-4,5-di­hydro-1H-pyrazol-1-yl]propane-1-one

In the title compound, C(28)H(24)F(6)N(2)O(3), the mean plane of the central pyrazoline ring forms dihedral angles of 2.08 (9) and 69.02 (16)° with the 2-benz­yloxy-6-hy­droxy-4-methyl­phenyl and 3,5-bis­(tri­fluoro­meth­yl)phenyl rings, respectively. The dihedral angle between the mean planes of th...

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Autores principales: Patel, U. H., Gandhi, S. A., Barot, V. M., Varma, N. V. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3684926/
https://www.ncbi.nlm.nih.gov/pubmed/23795028
http://dx.doi.org/10.1107/S160053681301180X
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author Patel, U. H.
Gandhi, S. A.
Barot, V. M.
Varma, N. V. S.
author_facet Patel, U. H.
Gandhi, S. A.
Barot, V. M.
Varma, N. V. S.
author_sort Patel, U. H.
collection PubMed
description In the title compound, C(28)H(24)F(6)N(2)O(3), the mean plane of the central pyrazoline ring forms dihedral angles of 2.08 (9) and 69.02 (16)° with the 2-benz­yloxy-6-hy­droxy-4-methyl­phenyl and 3,5-bis­(tri­fluoro­meth­yl)phenyl rings, respectively. The dihedral angle between the mean planes of the pyrazoline and 3,5-bis­(tri­fluoro­meth­yl)phenyl rings is 68.97 (9)°. An intra­molecular O—H⋯N hydrogen bond is observed, which forms an S(6) graph-set motif. In the crystal, pairs of weak C—H⋯F halogen inter­actions link the mol­ecules into inversion dimers while molecular chains along [100] are formed by C—H⋯O contacts.
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spelling pubmed-36849262013-06-21 1-[3-(2-Benz­yloxy-6-hy­droxy-4-methyl­phen­yl)-5-[3,5-bis­(tri­fluoro­meth­yl)phen­yl]-4,5-di­hydro-1H-pyrazol-1-yl]propane-1-one Patel, U. H. Gandhi, S. A. Barot, V. M. Varma, N. V. S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(28)H(24)F(6)N(2)O(3), the mean plane of the central pyrazoline ring forms dihedral angles of 2.08 (9) and 69.02 (16)° with the 2-benz­yloxy-6-hy­droxy-4-methyl­phenyl and 3,5-bis­(tri­fluoro­meth­yl)phenyl rings, respectively. The dihedral angle between the mean planes of the pyrazoline and 3,5-bis­(tri­fluoro­meth­yl)phenyl rings is 68.97 (9)°. An intra­molecular O—H⋯N hydrogen bond is observed, which forms an S(6) graph-set motif. In the crystal, pairs of weak C—H⋯F halogen inter­actions link the mol­ecules into inversion dimers while molecular chains along [100] are formed by C—H⋯O contacts. International Union of Crystallography 2013-05-04 /pmc/articles/PMC3684926/ /pubmed/23795028 http://dx.doi.org/10.1107/S160053681301180X Text en © Patel et al. 2013 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
Patel, U. H.
Gandhi, S. A.
Barot, V. M.
Varma, N. V. S.
1-[3-(2-Benz­yloxy-6-hy­droxy-4-methyl­phen­yl)-5-[3,5-bis­(tri­fluoro­meth­yl)phen­yl]-4,5-di­hydro-1H-pyrazol-1-yl]propane-1-one
title 1-[3-(2-Benz­yloxy-6-hy­droxy-4-methyl­phen­yl)-5-[3,5-bis­(tri­fluoro­meth­yl)phen­yl]-4,5-di­hydro-1H-pyrazol-1-yl]propane-1-one
title_full 1-[3-(2-Benz­yloxy-6-hy­droxy-4-methyl­phen­yl)-5-[3,5-bis­(tri­fluoro­meth­yl)phen­yl]-4,5-di­hydro-1H-pyrazol-1-yl]propane-1-one
title_fullStr 1-[3-(2-Benz­yloxy-6-hy­droxy-4-methyl­phen­yl)-5-[3,5-bis­(tri­fluoro­meth­yl)phen­yl]-4,5-di­hydro-1H-pyrazol-1-yl]propane-1-one
title_full_unstemmed 1-[3-(2-Benz­yloxy-6-hy­droxy-4-methyl­phen­yl)-5-[3,5-bis­(tri­fluoro­meth­yl)phen­yl]-4,5-di­hydro-1H-pyrazol-1-yl]propane-1-one
title_short 1-[3-(2-Benz­yloxy-6-hy­droxy-4-methyl­phen­yl)-5-[3,5-bis­(tri­fluoro­meth­yl)phen­yl]-4,5-di­hydro-1H-pyrazol-1-yl]propane-1-one
title_sort 1-[3-(2-benz­yloxy-6-hy­droxy-4-methyl­phen­yl)-5-[3,5-bis­(tri­fluoro­meth­yl)phen­yl]-4,5-di­hydro-1h-pyrazol-1-yl]propane-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3684926/
https://www.ncbi.nlm.nih.gov/pubmed/23795028
http://dx.doi.org/10.1107/S160053681301180X
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AT gandhisa 132benzyloxy6hydroxy4methylphenyl535bistrifluoromethylphenyl45dihydro1hpyrazol1ylpropane1one
AT barotvm 132benzyloxy6hydroxy4methylphenyl535bistrifluoromethylphenyl45dihydro1hpyrazol1ylpropane1one
AT varmanvs 132benzyloxy6hydroxy4methylphenyl535bistrifluoromethylphenyl45dihydro1hpyrazol1ylpropane1one

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