(E)-5-(4-Chloro­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one: crystal structure and Hirshfeld surface analysis

In the title compound, C(20)H(15)ClN(2)O, the non-aromatic six-membered ring adopts a distorted envelope conformation with methyl­ene-C atom nearest to the five-membered ring being the flap atom. The dihedral angle between the phenyl and chloro­benzene rings is 74.5 (1)°. The heterocyclic ring forms...

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Autores principales: Meenatchi, C. Selva, Athimoolam, S., Suresh, J., Rubina, S. Raja, Kumar, R. Ranjith, Bhandari, S. R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462290/
https://www.ncbi.nlm.nih.gov/pubmed/36337467
http://dx.doi.org/10.1107/S2414314621011950
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author Meenatchi, C. Selva
Athimoolam, S.
Suresh, J.
Rubina, S. Raja
Kumar, R. Ranjith
Bhandari, S. R.
author_facet Meenatchi, C. Selva
Athimoolam, S.
Suresh, J.
Rubina, S. Raja
Kumar, R. Ranjith
Bhandari, S. R.
author_sort Meenatchi, C. Selva
collection PubMed
description In the title compound, C(20)H(15)ClN(2)O, the non-aromatic six-membered ring adopts a distorted envelope conformation with methyl­ene-C atom nearest to the five-membered ring being the flap atom. The dihedral angle between the phenyl and chloro­benzene rings is 74.5 (1)°. The heterocyclic ring forms dihedral angles of 37.9 (1) and 64.3 (1)° with the phenyl and chloro­benzene rings, respectively. In the crystal, weak C—H⋯O inter­actions feature predominantly within the three-dimensional architecture. The inter­molecular inter­actions are further analysed with the calculation of the Hirshfeld surfaces highlighting the prominent role of C—H⋯O inter­actions, along with H⋯H (36.8%) and C⋯H/H⋯C (26.5%) contacts. [Image: see text]
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spelling pubmed-94622902022-11-04 (E)-5-(4-Chloro­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one: crystal structure and Hirshfeld surface analysis Meenatchi, C. Selva Athimoolam, S. Suresh, J. Rubina, S. Raja Kumar, R. Ranjith Bhandari, S. R. IUCrdata Data Reports In the title compound, C(20)H(15)ClN(2)O, the non-aromatic six-membered ring adopts a distorted envelope conformation with methyl­ene-C atom nearest to the five-membered ring being the flap atom. The dihedral angle between the phenyl and chloro­benzene rings is 74.5 (1)°. The heterocyclic ring forms dihedral angles of 37.9 (1) and 64.3 (1)° with the phenyl and chloro­benzene rings, respectively. In the crystal, weak C—H⋯O inter­actions feature predominantly within the three-dimensional architecture. The inter­molecular inter­actions are further analysed with the calculation of the Hirshfeld surfaces highlighting the prominent role of C—H⋯O inter­actions, along with H⋯H (36.8%) and C⋯H/H⋯C (26.5%) contacts. [Image: see text] International Union of Crystallography 2021-11-16 /pmc/articles/PMC9462290/ /pubmed/36337467 http://dx.doi.org/10.1107/S2414314621011950 Text en © Meenatchi et al. 2021 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.
Rubina, S. Raja
Kumar, R. Ranjith
Bhandari, S. R.
(E)-5-(4-Chloro­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one: crystal structure and Hirshfeld surface analysis
title (E)-5-(4-Chloro­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one: crystal structure and Hirshfeld surface analysis
title_full (E)-5-(4-Chloro­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one: crystal structure and Hirshfeld surface analysis
title_fullStr (E)-5-(4-Chloro­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one: crystal structure and Hirshfeld surface analysis
title_full_unstemmed (E)-5-(4-Chloro­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one: crystal structure and Hirshfeld surface analysis
title_short (E)-5-(4-Chloro­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one: crystal structure and Hirshfeld surface analysis
title_sort (e)-5-(4-chloro­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1h-indazol-4-one: crystal structure and hirshfeld surface analysis
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462290/
https://www.ncbi.nlm.nih.gov/pubmed/36337467
http://dx.doi.org/10.1107/S2414314621011950
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