Crystal structure and Hirshfeld surface analysis of 5-(3,5-di-tert-butyl-4-hy­droxy­phen­yl)-3-phenyl-4,5-di­hydro-1H-pyrazole-1-carboxamide

In the title compound, C(24)H(31)N(3)O(2), the mean plane of the central pyrazole ring [r.m.s. deviation = 0.095 Å] makes dihedral angles of 11.93 (9) and 84.53 (8)°, respectively, with the phenyl and benzene rings. There is a short intra­molecular N—H⋯N contact, which generates an S(5) ring motif....

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Detalles Bibliográficos
Autor principal: Asgarova, Ayten R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6775746/
https://www.ncbi.nlm.nih.gov/pubmed/31636977
http://dx.doi.org/10.1107/S205698901901243X
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author Asgarova, Ayten R.
author_facet Asgarova, Ayten R.
author_sort Asgarova, Ayten R.
collection PubMed
description In the title compound, C(24)H(31)N(3)O(2), the mean plane of the central pyrazole ring [r.m.s. deviation = 0.095 Å] makes dihedral angles of 11.93 (9) and 84.53 (8)°, respectively, with the phenyl and benzene rings. There is a short intra­molecular N—H⋯N contact, which generates an S(5) ring motif. In the crystal, pairs of N—H⋯O hydrogen bonds link inversion-related mol­ecules into dimers, generating an R (2) (2)(8) ring motif. The Hirshfeld surface analysis indicates that the most significant contribution involves H⋯H contacts of 68.6%
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spelling pubmed-67757462019-10-21 Crystal structure and Hirshfeld surface analysis of 5-(3,5-di-tert-butyl-4-hy­droxy­phen­yl)-3-phenyl-4,5-di­hydro-1H-pyrazole-1-carboxamide Asgarova, Ayten R. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(24)H(31)N(3)O(2), the mean plane of the central pyrazole ring [r.m.s. deviation = 0.095 Å] makes dihedral angles of 11.93 (9) and 84.53 (8)°, respectively, with the phenyl and benzene rings. There is a short intra­molecular N—H⋯N contact, which generates an S(5) ring motif. In the crystal, pairs of N—H⋯O hydrogen bonds link inversion-related mol­ecules into dimers, generating an R (2) (2)(8) ring motif. The Hirshfeld surface analysis indicates that the most significant contribution involves H⋯H contacts of 68.6% International Union of Crystallography 2019-09-12 /pmc/articles/PMC6775746/ /pubmed/31636977 http://dx.doi.org/10.1107/S205698901901243X Text en © Ayten R. Asgarova 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Asgarova, Ayten R.
Crystal structure and Hirshfeld surface analysis of 5-(3,5-di-tert-butyl-4-hy­droxy­phen­yl)-3-phenyl-4,5-di­hydro-1H-pyrazole-1-carboxamide
title Crystal structure and Hirshfeld surface analysis of 5-(3,5-di-tert-butyl-4-hy­droxy­phen­yl)-3-phenyl-4,5-di­hydro-1H-pyrazole-1-carboxamide
title_full Crystal structure and Hirshfeld surface analysis of 5-(3,5-di-tert-butyl-4-hy­droxy­phen­yl)-3-phenyl-4,5-di­hydro-1H-pyrazole-1-carboxamide
title_fullStr Crystal structure and Hirshfeld surface analysis of 5-(3,5-di-tert-butyl-4-hy­droxy­phen­yl)-3-phenyl-4,5-di­hydro-1H-pyrazole-1-carboxamide
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 5-(3,5-di-tert-butyl-4-hy­droxy­phen­yl)-3-phenyl-4,5-di­hydro-1H-pyrazole-1-carboxamide
title_short Crystal structure and Hirshfeld surface analysis of 5-(3,5-di-tert-butyl-4-hy­droxy­phen­yl)-3-phenyl-4,5-di­hydro-1H-pyrazole-1-carboxamide
title_sort crystal structure and hirshfeld surface analysis of 5-(3,5-di-tert-butyl-4-hy­droxy­phen­yl)-3-phenyl-4,5-di­hydro-1h-pyrazole-1-carboxamide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6775746/
https://www.ncbi.nlm.nih.gov/pubmed/31636977
http://dx.doi.org/10.1107/S205698901901243X
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