(E)-5-(4-Methyl­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one

In the title compound, C(21)H(18)N(2)O, the non-aromatic six-membered ring adopts a distorted envelope conformation with one of the methyl­ene-C atoms being the flap atom. The dihedral angle between the phenyl and 4-tolyl rings is 75.3 (1)°. The 1,2-diazole ring forms dihedral angles of 41.9 (1) and...

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Autores principales: Meenatchi, C. Selva, Athimoolam, S., Suresh, J., Priya, R. Vishnu, Rubina, S. Raja, Bhandari, S. R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462011/
https://www.ncbi.nlm.nih.gov/pubmed/36339806
http://dx.doi.org/10.1107/S2414314622002838
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author Meenatchi, C. Selva
Athimoolam, S.
Suresh, J.
Priya, R. Vishnu
Rubina, S. Raja
Bhandari, S. R.
author_facet Meenatchi, C. Selva
Athimoolam, S.
Suresh, J.
Priya, R. Vishnu
Rubina, S. Raja
Bhandari, S. R.
author_sort Meenatchi, C. Selva
collection PubMed
description In the title compound, C(21)H(18)N(2)O, the non-aromatic six-membered ring adopts a distorted envelope conformation with one of the methyl­ene-C atoms being the flap atom. The dihedral angle between the phenyl and 4-tolyl rings is 75.3 (1)°. The 1,2-diazole ring forms dihedral angles of 41.9 (1) and 65.5 (1)° with the phenyl and 4-tolyl rings, respectively. In the crystal, stabilizing C—H⋯O, C—H⋯π and π–π inter­actions are evident. The calculated Hirshfeld surfaces highlight the prominent role of C—H⋯O inter­actions (8.6%), along with H⋯H (51.7%) and C⋯H/H⋯C (29.2%) surface contacts. [Image: see text]
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spelling pubmed-94620112022-11-04 (E)-5-(4-Methyl­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one Meenatchi, C. Selva Athimoolam, S. Suresh, J. Priya, R. Vishnu Rubina, S. Raja Bhandari, S. R. IUCrdata Data Reports In the title compound, C(21)H(18)N(2)O, the non-aromatic six-membered ring adopts a distorted envelope conformation with one of the methyl­ene-C atoms being the flap atom. The dihedral angle between the phenyl and 4-tolyl rings is 75.3 (1)°. The 1,2-diazole ring forms dihedral angles of 41.9 (1) and 65.5 (1)° with the phenyl and 4-tolyl rings, respectively. In the crystal, stabilizing C—H⋯O, C—H⋯π and π–π inter­actions are evident. The calculated Hirshfeld surfaces highlight the prominent role of C—H⋯O inter­actions (8.6%), along with H⋯H (51.7%) and C⋯H/H⋯C (29.2%) surface contacts. [Image: see text] International Union of Crystallography 2022-03-29 /pmc/articles/PMC9462011/ /pubmed/36339806 http://dx.doi.org/10.1107/S2414314622002838 Text en © Meenatchi et al. 2022 https://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.
spellingShingle Data Reports
Meenatchi, C. Selva
Athimoolam, S.
Suresh, J.
Priya, R. Vishnu
Rubina, S. Raja
Bhandari, S. R.
(E)-5-(4-Methyl­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one
title (E)-5-(4-Methyl­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one
title_full (E)-5-(4-Methyl­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one
title_fullStr (E)-5-(4-Methyl­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one
title_full_unstemmed (E)-5-(4-Methyl­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one
title_short (E)-5-(4-Methyl­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one
title_sort (e)-5-(4-methyl­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1h-indazol-4-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462011/
https://www.ncbi.nlm.nih.gov/pubmed/36339806
http://dx.doi.org/10.1107/S2414314622002838
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