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N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide
In the title compound, C(19)H(18)N(4)O(4), the nitrophenyl and phenyl rings are twisted by 67.0 (6) and 37.4 (4)°, respectively, with respect to the pyrazole ring plane [maximum deviation = 0.0042 (16) Å]. The dihedral angle between the mean planes of the phenyl rings is 59.3 (3)°. The amide group,...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051092/ https://www.ncbi.nlm.nih.gov/pubmed/24940224 http://dx.doi.org/10.1107/S1600536814009738 |
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author | Kaur, Manpreet Jasinski, Jerry P. Yathirajan, H. S. Narayana, B. Byrappa, K. |
author_facet | Kaur, Manpreet Jasinski, Jerry P. Yathirajan, H. S. Narayana, B. Byrappa, K. |
author_sort | Kaur, Manpreet |
collection | PubMed |
description | In the title compound, C(19)H(18)N(4)O(4), the nitrophenyl and phenyl rings are twisted by 67.0 (6) and 37.4 (4)°, respectively, with respect to the pyrazole ring plane [maximum deviation = 0.0042 (16) Å]. The dihedral angle between the mean planes of the phenyl rings is 59.3 (3)°. The amide group, with a C—N—C—C torsion angle of 177.54 (13)°, is twisted away from the plane of the pyrazole ring in an antiperiplanar conformation. In the crystal, N—H⋯O hydrogen bonds involving the carbonyl group on the pyrazole ring and the amide group, together with weak C—H⋯O interactions forming R (2) (2)(10) graph-set motifs, link the molecules into chains along [100]. Additional weak C—H⋯O interactions involving the nitrophenyl rings further link the molecules along [001], also forming R (2) (2)(10) graph-set motifs, thereby generating (010) layers. |
format | Online Article Text |
id | pubmed-4051092 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-40510922014-06-17 N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide Kaur, Manpreet Jasinski, Jerry P. Yathirajan, H. S. Narayana, B. Byrappa, K. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(19)H(18)N(4)O(4), the nitrophenyl and phenyl rings are twisted by 67.0 (6) and 37.4 (4)°, respectively, with respect to the pyrazole ring plane [maximum deviation = 0.0042 (16) Å]. The dihedral angle between the mean planes of the phenyl rings is 59.3 (3)°. The amide group, with a C—N—C—C torsion angle of 177.54 (13)°, is twisted away from the plane of the pyrazole ring in an antiperiplanar conformation. In the crystal, N—H⋯O hydrogen bonds involving the carbonyl group on the pyrazole ring and the amide group, together with weak C—H⋯O interactions forming R (2) (2)(10) graph-set motifs, link the molecules into chains along [100]. Additional weak C—H⋯O interactions involving the nitrophenyl rings further link the molecules along [001], also forming R (2) (2)(10) graph-set motifs, thereby generating (010) layers. International Union of Crystallography 2014-05-03 /pmc/articles/PMC4051092/ /pubmed/24940224 http://dx.doi.org/10.1107/S1600536814009738 Text en © Kaur et al. 2014 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 Kaur, Manpreet Jasinski, Jerry P. Yathirajan, H. S. Narayana, B. Byrappa, K. N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide |
title |
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide |
title_full |
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide |
title_fullStr |
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide |
title_full_unstemmed |
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide |
title_short |
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide |
title_sort | n-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051092/ https://www.ncbi.nlm.nih.gov/pubmed/24940224 http://dx.doi.org/10.1107/S1600536814009738 |
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