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5-(3-Fluorophenyl)-1-phenylpyrazolidin-3-one
In the molecule of the title compound, C(15)H(13)FN(2)O, the phenyl and fluorophenyl rings are oriented at a dihedral angle of 77.92 (3)°. The pyrazolidine ring adopts an envelope conformation. An intramolecular C—H⋯N hydrogen bond results in the formation of a five-membered ring adopting an envel...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959324/ https://www.ncbi.nlm.nih.gov/pubmed/21201098 http://dx.doi.org/10.1107/S1600536808026706 |
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author | Liu, Yuan-Yuan Shi, Hong Chu, Qing-Yan Zhu, Hong-Jun |
author_facet | Liu, Yuan-Yuan Shi, Hong Chu, Qing-Yan Zhu, Hong-Jun |
author_sort | Liu, Yuan-Yuan |
collection | PubMed |
description | In the molecule of the title compound, C(15)H(13)FN(2)O, the phenyl and fluorophenyl rings are oriented at a dihedral angle of 77.92 (3)°. The pyrazolidine ring adopts an envelope conformation. An intramolecular C—H⋯N hydrogen bond results in the formation of a five-membered ring adopting an envelope conformation. In the crystal structure, intermolecular N—H⋯O and C—H⋯O hydrogen bonds link the molecules. There are C—H⋯π contacts between between aromatic H atoms and the phenyl and fluorophenyl rings. A π–π contact between phenyl rings [centroid–centroid distance = 3.926 (1) Å] is also observed. |
format | Text |
id | pubmed-2959324 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29593242010-12-30 5-(3-Fluorophenyl)-1-phenylpyrazolidin-3-one Liu, Yuan-Yuan Shi, Hong Chu, Qing-Yan Zhu, Hong-Jun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the molecule of the title compound, C(15)H(13)FN(2)O, the phenyl and fluorophenyl rings are oriented at a dihedral angle of 77.92 (3)°. The pyrazolidine ring adopts an envelope conformation. An intramolecular C—H⋯N hydrogen bond results in the formation of a five-membered ring adopting an envelope conformation. In the crystal structure, intermolecular N—H⋯O and C—H⋯O hydrogen bonds link the molecules. There are C—H⋯π contacts between between aromatic H atoms and the phenyl and fluorophenyl rings. A π–π contact between phenyl rings [centroid–centroid distance = 3.926 (1) Å] is also observed. International Union of Crystallography 2008-09-06 /pmc/articles/PMC2959324/ /pubmed/21201098 http://dx.doi.org/10.1107/S1600536808026706 Text en © Liu et al. 2008 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 Liu, Yuan-Yuan Shi, Hong Chu, Qing-Yan Zhu, Hong-Jun 5-(3-Fluorophenyl)-1-phenylpyrazolidin-3-one |
title | 5-(3-Fluorophenyl)-1-phenylpyrazolidin-3-one |
title_full | 5-(3-Fluorophenyl)-1-phenylpyrazolidin-3-one |
title_fullStr | 5-(3-Fluorophenyl)-1-phenylpyrazolidin-3-one |
title_full_unstemmed | 5-(3-Fluorophenyl)-1-phenylpyrazolidin-3-one |
title_short | 5-(3-Fluorophenyl)-1-phenylpyrazolidin-3-one |
title_sort | 5-(3-fluorophenyl)-1-phenylpyrazolidin-3-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959324/ https://www.ncbi.nlm.nih.gov/pubmed/21201098 http://dx.doi.org/10.1107/S1600536808026706 |
work_keys_str_mv | AT liuyuanyuan 53fluorophenyl1phenylpyrazolidin3one AT shihong 53fluorophenyl1phenylpyrazolidin3one AT chuqingyan 53fluorophenyl1phenylpyrazolidin3one AT zhuhongjun 53fluorophenyl1phenylpyrazolidin3one |