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4-(4-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4H-pyran-3-carbonitrile
In the title compound, C(19)H(14)FN(3)O(3), the central pyran ring adopts a boat conformation with the O atom and the quaternary C atom diagonally opposite displaced by 0.068 (1) and 0.075 (1) Å, respectively, above the mean plane defined by the other four ring atoms. The co-planar atoms of the pyra...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647880/ https://www.ncbi.nlm.nih.gov/pubmed/23723846 http://dx.doi.org/10.1107/S1600536813009008 |
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author | Vishnupriya, R. Suresh, J. Sivakumar, S. Kumar, R. Ranjith Lakshman, P. L. Nilantha |
author_facet | Vishnupriya, R. Suresh, J. Sivakumar, S. Kumar, R. Ranjith Lakshman, P. L. Nilantha |
author_sort | Vishnupriya, R. |
collection | PubMed |
description | In the title compound, C(19)H(14)FN(3)O(3), the central pyran ring adopts a boat conformation with the O atom and the quaternary C atom diagonally opposite displaced by 0.068 (1) and 0.075 (1) Å, respectively, above the mean plane defined by the other four ring atoms. The co-planar atoms of the pyran ring and the fluorophenyl ring are nearly perpendicular, as evidenced by the dihedral angle of 87.11 (1)°. The amine group forms an intramolecular N—H⋯O(nitro) hydrogen bond. In the crystal, molecules are linked into parallel chains along [100] by weak N—H⋯N and C—H⋯N(nitro) hydrogen bonds, generating C(8) and C(9) graph-set motifs, respectively. |
format | Online Article Text |
id | pubmed-3647880 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36478802013-05-30 4-(4-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4H-pyran-3-carbonitrile Vishnupriya, R. Suresh, J. Sivakumar, S. Kumar, R. Ranjith Lakshman, P. L. Nilantha Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(19)H(14)FN(3)O(3), the central pyran ring adopts a boat conformation with the O atom and the quaternary C atom diagonally opposite displaced by 0.068 (1) and 0.075 (1) Å, respectively, above the mean plane defined by the other four ring atoms. The co-planar atoms of the pyran ring and the fluorophenyl ring are nearly perpendicular, as evidenced by the dihedral angle of 87.11 (1)°. The amine group forms an intramolecular N—H⋯O(nitro) hydrogen bond. In the crystal, molecules are linked into parallel chains along [100] by weak N—H⋯N and C—H⋯N(nitro) hydrogen bonds, generating C(8) and C(9) graph-set motifs, respectively. International Union of Crystallography 2013-04-10 /pmc/articles/PMC3647880/ /pubmed/23723846 http://dx.doi.org/10.1107/S1600536813009008 Text en © Vishnupriya et al. 2013 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 Vishnupriya, R. Suresh, J. Sivakumar, S. Kumar, R. Ranjith Lakshman, P. L. Nilantha 4-(4-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4H-pyran-3-carbonitrile |
title | 4-(4-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4H-pyran-3-carbonitrile |
title_full | 4-(4-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4H-pyran-3-carbonitrile |
title_fullStr | 4-(4-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4H-pyran-3-carbonitrile |
title_full_unstemmed | 4-(4-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4H-pyran-3-carbonitrile |
title_short | 4-(4-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4H-pyran-3-carbonitrile |
title_sort | 4-(4-fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4h-pyran-3-carbonitrile |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647880/ https://www.ncbi.nlm.nih.gov/pubmed/23723846 http://dx.doi.org/10.1107/S1600536813009008 |
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