1-[5-(4-Bromo­phen­yl)-3-(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one

In the title compound, C(19)H(18)BrFN(2)O, the benzene rings form dihedral angles of 5.38 (7) and 85.48 (7)° with the mean plane of the 4,5-dihydro-1H-pyrazole ring (r.m.s. deviation = 0.0849 Å), which approximates to an envelope conformation with the –CH(2)– group as the flap. The dihedral angle be...

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Autores principales: Fun, Hoong-Kun, Loh, Wan-Sin, Sapnakumari, M., Narayana, B., Sarojini, B. K.
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/PMC3435682/
https://www.ncbi.nlm.nih.gov/pubmed/22969553
http://dx.doi.org/10.1107/S1600536812034368
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author Fun, Hoong-Kun
Loh, Wan-Sin
Sapnakumari, M.
Narayana, B.
Sarojini, B. K.
author_facet Fun, Hoong-Kun
Loh, Wan-Sin
Sapnakumari, M.
Narayana, B.
Sarojini, B. K.
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(19)H(18)BrFN(2)O, the benzene rings form dihedral angles of 5.38 (7) and 85.48 (7)° with the mean plane of the 4,5-dihydro-1H-pyrazole ring (r.m.s. deviation = 0.0849 Å), which approximates to an envelope conformation with the –CH(2)– group as the flap. The dihedral angle between the benzene rings is 82.86 (7)°. In the crystal, C—H⋯F and C—H⋯O hydrogen bonds link the mol­ecules to form inversion dimers and together these generate chains along [011]. The crystal packing also features C—H⋯π inter­actions.
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spelling pubmed-34356822012-09-11 1-[5-(4-Bromo­phen­yl)-3-(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one Fun, Hoong-Kun Loh, Wan-Sin Sapnakumari, M. Narayana, B. Sarojini, B. K. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(19)H(18)BrFN(2)O, the benzene rings form dihedral angles of 5.38 (7) and 85.48 (7)° with the mean plane of the 4,5-dihydro-1H-pyrazole ring (r.m.s. deviation = 0.0849 Å), which approximates to an envelope conformation with the –CH(2)– group as the flap. The dihedral angle between the benzene rings is 82.86 (7)°. In the crystal, C—H⋯F and C—H⋯O hydrogen bonds link the mol­ecules to form inversion dimers and together these generate chains along [011]. The crystal packing also features C—H⋯π inter­actions. International Union of Crystallography 2012-08-08 /pmc/articles/PMC3435682/ /pubmed/22969553 http://dx.doi.org/10.1107/S1600536812034368 Text en © Fun 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
Fun, Hoong-Kun
Loh, Wan-Sin
Sapnakumari, M.
Narayana, B.
Sarojini, B. K.
1-[5-(4-Bromo­phen­yl)-3-(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one
title 1-[5-(4-Bromo­phen­yl)-3-(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one
title_full 1-[5-(4-Bromo­phen­yl)-3-(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one
title_fullStr 1-[5-(4-Bromo­phen­yl)-3-(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one
title_full_unstemmed 1-[5-(4-Bromo­phen­yl)-3-(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one
title_short 1-[5-(4-Bromo­phen­yl)-3-(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one
title_sort 1-[5-(4-bromo­phen­yl)-3-(4-fluoro­phen­yl)-4,5-dihydro-1h-pyrazol-1-yl]butan-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435682/
https://www.ncbi.nlm.nih.gov/pubmed/22969553
http://dx.doi.org/10.1107/S1600536812034368
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