Cargando…
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...
Autores principales: | , , , |
---|---|
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 |
_version_ | 1782372392103837696 |
---|---|
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. |
format | Online Article Text |
id | pubmed-4438802 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT danishmuhammad crystalstructureofethyln15dimethyl3oxo2phenyl23dihydro1hpyrazol4ylcarbamate AT tahirmuhammadnawaz crystalstructureofethyln15dimethyl3oxo2phenyl23dihydro1hpyrazol4ylcarbamate AT anwaruzma crystalstructureofethyln15dimethyl3oxo2phenyl23dihydro1hpyrazol4ylcarbamate AT razamuhammadasam crystalstructureofethyln15dimethyl3oxo2phenyl23dihydro1hpyrazol4ylcarbamate |