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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,...

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Autores principales: Kaur, Manpreet, Jasinski, Jerry P., Yathirajan, H. S., Narayana, B., Byrappa, K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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.
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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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