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4-(4-Fluorophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile
In the molecule of the title compound, C(20)H(13)FN(2)O, the fluorophenyl ring is oriented at a dihedral angle of 72.76 (3)° with respect to the fused benzene ring. In the crystal structure, intermolecular N—H⋯O, C—H⋯O and C—H⋯F interactions link the molecules into chains. π–π contacts between...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969758/ https://www.ncbi.nlm.nih.gov/pubmed/21583205 http://dx.doi.org/10.1107/S1600536809017991 |
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author | Zhang, Jinpeng Ding, Jie Yan, Shu Rong, Liangce Xu, Lichun |
author_facet | Zhang, Jinpeng Ding, Jie Yan, Shu Rong, Liangce Xu, Lichun |
author_sort | Zhang, Jinpeng |
collection | PubMed |
description | In the molecule of the title compound, C(20)H(13)FN(2)O, the fluorophenyl ring is oriented at a dihedral angle of 72.76 (3)° with respect to the fused benzene ring. In the crystal structure, intermolecular N—H⋯O, C—H⋯O and C—H⋯F interactions link the molecules into chains. π–π contacts between the quinoline and benzene rings [centroid–centroid distance = 3.918 (3) Å] may further stabilize the structure. A weak C—H⋯π interaction is also present. The O atom and two of the CH(2) groups of the quinoline ring system are disordered over two positions. The O atom was refined with occupancies of 0.489 (17) and 0.511 (17), while C and H atoms were refined with occupancies of 0.435 (13) and 0.565 (13). |
format | Text |
id | pubmed-2969758 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29697582010-12-30 4-(4-Fluorophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile Zhang, Jinpeng Ding, Jie Yan, Shu Rong, Liangce Xu, Lichun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the molecule of the title compound, C(20)H(13)FN(2)O, the fluorophenyl ring is oriented at a dihedral angle of 72.76 (3)° with respect to the fused benzene ring. In the crystal structure, intermolecular N—H⋯O, C—H⋯O and C—H⋯F interactions link the molecules into chains. π–π contacts between the quinoline and benzene rings [centroid–centroid distance = 3.918 (3) Å] may further stabilize the structure. A weak C—H⋯π interaction is also present. The O atom and two of the CH(2) groups of the quinoline ring system are disordered over two positions. The O atom was refined with occupancies of 0.489 (17) and 0.511 (17), while C and H atoms were refined with occupancies of 0.435 (13) and 0.565 (13). International Union of Crystallography 2009-05-20 /pmc/articles/PMC2969758/ /pubmed/21583205 http://dx.doi.org/10.1107/S1600536809017991 Text en © Zhang et al. 2009 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 Zhang, Jinpeng Ding, Jie Yan, Shu Rong, Liangce Xu, Lichun 4-(4-Fluorophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile |
title | 4-(4-Fluorophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile |
title_full | 4-(4-Fluorophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile |
title_fullStr | 4-(4-Fluorophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile |
title_full_unstemmed | 4-(4-Fluorophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile |
title_short | 4-(4-Fluorophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile |
title_sort | 4-(4-fluorophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969758/ https://www.ncbi.nlm.nih.gov/pubmed/21583205 http://dx.doi.org/10.1107/S1600536809017991 |
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