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Crystal structure of ethyl N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-di­hydro-1H-pyrazol-4-yl)carbamate

In the title compound, C(14)H(17)N(3)O(3), the dihedral angle between the benzene ring and the five-membered di­hydro­pyrazole ring is 52.26 (9)°. The ethyl ester group is approximately planar (r.m.s. deviation 0.0568 Å) and subtends an angle 67.73 (8)° to the pyrazole ring. In the crystal, molecule...

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Detalles Bibliográficos
Autores principales: Danish, Muhammad, Tahir, Muhammad Nawaz, Anwar, Uzma, Raza, Muhammad Asam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438802/
https://www.ncbi.nlm.nih.gov/pubmed/26029449
http://dx.doi.org/10.1107/S2056989015006106
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author Danish, Muhammad
Tahir, Muhammad Nawaz
Anwar, Uzma
Raza, Muhammad Asam
author_facet Danish, Muhammad
Tahir, Muhammad Nawaz
Anwar, Uzma
Raza, Muhammad Asam
author_sort Danish, Muhammad
collection PubMed
description In the title compound, C(14)H(17)N(3)O(3), the dihedral angle between the benzene ring and the five-membered di­hydro­pyrazole ring is 52.26 (9)°. The ethyl ester group is approximately planar (r.m.s. deviation 0.0568 Å) and subtends an angle 67.73 (8)° to the pyrazole ring. In the crystal, molecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(10) ring motif. Weaker C—H⋯O contacts link these dimers into a three-dimensional network of mol­ecules stacked along the a-axis direction. Offset π–π stacking inter­actions between the benzene rings [centroid-to-centroid distance = 3.8832 (12) Å] further stabilize the crystal packing.
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spelling pubmed-44388022015-05-30 Crystal structure of ethyl N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-di­hydro-1H-pyrazol-4-yl)carbamate Danish, Muhammad Tahir, Muhammad Nawaz Anwar, Uzma Raza, Muhammad Asam Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(14)H(17)N(3)O(3), the dihedral angle between the benzene ring and the five-membered di­hydro­pyrazole ring is 52.26 (9)°. The ethyl ester group is approximately planar (r.m.s. deviation 0.0568 Å) and subtends an angle 67.73 (8)° to the pyrazole ring. In the crystal, molecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(10) ring motif. Weaker C—H⋯O contacts link these dimers into a three-dimensional network of mol­ecules stacked along the a-axis direction. Offset π–π stacking inter­actions between the benzene rings [centroid-to-centroid distance = 3.8832 (12) Å] further stabilize the crystal packing. International Union of Crystallography 2015-03-28 /pmc/articles/PMC4438802/ /pubmed/26029449 http://dx.doi.org/10.1107/S2056989015006106 Text en © Danish et al. 2015 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 Data Reports
Danish, Muhammad
Tahir, Muhammad Nawaz
Anwar, Uzma
Raza, Muhammad Asam
Crystal structure of ethyl N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-di­hydro-1H-pyrazol-4-yl)carbamate
title Crystal structure of ethyl N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-di­hydro-1H-pyrazol-4-yl)carbamate
title_full Crystal structure of ethyl N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-di­hydro-1H-pyrazol-4-yl)carbamate
title_fullStr Crystal structure of ethyl N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-di­hydro-1H-pyrazol-4-yl)carbamate
title_full_unstemmed Crystal structure of ethyl N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-di­hydro-1H-pyrazol-4-yl)carbamate
title_short Crystal structure of ethyl N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-di­hydro-1H-pyrazol-4-yl)carbamate
title_sort crystal structure of ethyl n-(1,5-dimethyl-3-oxo-2-phenyl-2,3-di­hydro-1h-pyrazol-4-yl)carbamate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438802/
https://www.ncbi.nlm.nih.gov/pubmed/26029449
http://dx.doi.org/10.1107/S2056989015006106
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