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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-2983722 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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