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1-[3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

In the asymmetric unit of the title compound, C(17)H(14)F(2)N(2)O, there are three independent mol­ecules (A, B and C) which differ slightly in the relative orientations of the two fluoro­phenyl rings. In mol­ecules A and C one of the fluoro­phenyl rings is disordered over two positions, with occupa...

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Autores principales: Fun, Hoong-Kun, Hemamalini, Madhukar, Samshuddin, S., Narayana, B., Yathirajan, H. S.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983722/
https://www.ncbi.nlm.nih.gov/pubmed/21580348
http://dx.doi.org/10.1107/S1600536810004435
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author Fun, Hoong-Kun
Hemamalini, Madhukar
Samshuddin, S.
Narayana, B.
Yathirajan, H. S.
author_facet Fun, Hoong-Kun
Hemamalini, Madhukar
Samshuddin, S.
Narayana, B.
Yathirajan, H. S.
author_sort Fun, Hoong-Kun
collection PubMed
description In the asymmetric unit of the title compound, C(17)H(14)F(2)N(2)O, there are three independent mol­ecules (A, B and C) which differ slightly in the relative orientations of the two fluoro­phenyl rings. In mol­ecules A and C one of the fluoro­phenyl rings is disordered over two positions, with occupancy ratios of 0.72 (2):0.28 (2) for mol­ecule A and 0.67 (2):0.33 (2) for mol­ecule C. The dihedral angle between the two fluoro­phenyl rings in the independent mol­ecules lie in the range 70.3 (3)–84.0 (3)°. In the crystal structure, the mol­ecules are linked via inter­molecular C—H⋯O and C—H⋯F hydrogen bonds and π⋯π stacking inter­actions [centroid–centroid distance = 3.7508 (13) Å], forming a three-dimensional network.
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spelling pubmed-29837222010-12-30 1-[3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone Fun, Hoong-Kun Hemamalini, Madhukar Samshuddin, S. Narayana, B. Yathirajan, H. S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the asymmetric unit of the title compound, C(17)H(14)F(2)N(2)O, there are three independent mol­ecules (A, B and C) which differ slightly in the relative orientations of the two fluoro­phenyl rings. In mol­ecules A and C one of the fluoro­phenyl rings is disordered over two positions, with occupancy ratios of 0.72 (2):0.28 (2) for mol­ecule A and 0.67 (2):0.33 (2) for mol­ecule C. The dihedral angle between the two fluoro­phenyl rings in the independent mol­ecules lie in the range 70.3 (3)–84.0 (3)°. In the crystal structure, the mol­ecules are linked via inter­molecular C—H⋯O and C—H⋯F hydrogen bonds and π⋯π stacking inter­actions [centroid–centroid distance = 3.7508 (13) Å], forming a three-dimensional network. International Union of Crystallography 2010-02-10 /pmc/articles/PMC2983722/ /pubmed/21580348 http://dx.doi.org/10.1107/S1600536810004435 Text en © Fun et al. 2010 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
Hemamalini, Madhukar
Samshuddin, S.
Narayana, B.
Yathirajan, H. S.
1-[3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
title 1-[3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
title_full 1-[3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
title_fullStr 1-[3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
title_full_unstemmed 1-[3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
title_short 1-[3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
title_sort 1-[3,5-bis(4-fluoro­phen­yl)-4,5-dihydro-1h-pyrazol-1-yl]ethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983722/
https://www.ncbi.nlm.nih.gov/pubmed/21580348
http://dx.doi.org/10.1107/S1600536810004435
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