Cargando…

Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyano­phen­oxy)carbon­yl]phen­oxy}carbon­yl)phenyl 4-(benz­yloxy)-3-chloro­benzoate

The title compound, C(35)H(22)ClNO(7), is a non-liquid crystal with a bent-shaped mol­ecule. The dihedral angles between adjacent aromatic rings in the mol­ecule (starting from the cyano­benzene ring) are 72.61 (2), 87.69 (4), 64.08 (2) and 88.23 (2)°, indicating that adjacent rings are close to per...

Descripción completa

Detalles Bibliográficos
Autores principales: Selvanandan, S., Anil kumar, H., Srinivasa, H. T., Palakshamurthy, B. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9535834/
https://www.ncbi.nlm.nih.gov/pubmed/36250112
http://dx.doi.org/10.1107/S2056989022008441
_version_ 1784802858007265280
author Selvanandan, S.
Anil kumar, H.
Srinivasa, H. T.
Palakshamurthy, B. S.
author_facet Selvanandan, S.
Anil kumar, H.
Srinivasa, H. T.
Palakshamurthy, B. S.
author_sort Selvanandan, S.
collection PubMed
description The title compound, C(35)H(22)ClNO(7), is a non-liquid crystal with a bent-shaped mol­ecule. The dihedral angles between adjacent aromatic rings in the mol­ecule (starting from the cyano­benzene ring) are 72.61 (2), 87.69 (4), 64.08 (2) and 88.23 (2)°, indicating that adjacent rings are close to perpendicular to each other. In the crystal, the mol­ecules are linked by weak C—H⋯N and C—H⋯π inter­actions, thereby forming a two-dimensional supra­molecular architecture in the ac plane. The most important contributions to the crystal packing arise from H⋯H (59.3%), S⋯H (27.4%) and O⋯H (7.5%) inter­actions, as determined by a Hirshfeld surface analysis.
format Online
Article
Text
id pubmed-9535834
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-95358342022-10-13 Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyano­phen­oxy)carbon­yl]phen­oxy}carbon­yl)phenyl 4-(benz­yloxy)-3-chloro­benzoate Selvanandan, S. Anil kumar, H. Srinivasa, H. T. Palakshamurthy, B. S. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(35)H(22)ClNO(7), is a non-liquid crystal with a bent-shaped mol­ecule. The dihedral angles between adjacent aromatic rings in the mol­ecule (starting from the cyano­benzene ring) are 72.61 (2), 87.69 (4), 64.08 (2) and 88.23 (2)°, indicating that adjacent rings are close to perpendicular to each other. In the crystal, the mol­ecules are linked by weak C—H⋯N and C—H⋯π inter­actions, thereby forming a two-dimensional supra­molecular architecture in the ac plane. The most important contributions to the crystal packing arise from H⋯H (59.3%), S⋯H (27.4%) and O⋯H (7.5%) inter­actions, as determined by a Hirshfeld surface analysis. International Union of Crystallography 2022-09-08 /pmc/articles/PMC9535834/ /pubmed/36250112 http://dx.doi.org/10.1107/S2056989022008441 Text en © Selvanandan 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 Research Communications
Selvanandan, S.
Anil kumar, H.
Srinivasa, H. T.
Palakshamurthy, B. S.
Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyano­phen­oxy)carbon­yl]phen­oxy}carbon­yl)phenyl 4-(benz­yloxy)-3-chloro­benzoate
title Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyano­phen­oxy)carbon­yl]phen­oxy}carbon­yl)phenyl 4-(benz­yloxy)-3-chloro­benzoate
title_full Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyano­phen­oxy)carbon­yl]phen­oxy}carbon­yl)phenyl 4-(benz­yloxy)-3-chloro­benzoate
title_fullStr Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyano­phen­oxy)carbon­yl]phen­oxy}carbon­yl)phenyl 4-(benz­yloxy)-3-chloro­benzoate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyano­phen­oxy)carbon­yl]phen­oxy}carbon­yl)phenyl 4-(benz­yloxy)-3-chloro­benzoate
title_short Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyano­phen­oxy)carbon­yl]phen­oxy}carbon­yl)phenyl 4-(benz­yloxy)-3-chloro­benzoate
title_sort crystal structure and hirshfeld surface analysis of 3-({4-[(4-cyano­phen­oxy)carbon­yl]phen­oxy}carbon­yl)phenyl 4-(benz­yloxy)-3-chloro­benzoate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9535834/
https://www.ncbi.nlm.nih.gov/pubmed/36250112
http://dx.doi.org/10.1107/S2056989022008441
work_keys_str_mv AT selvanandans crystalstructureandhirshfeldsurfaceanalysisof344cyanophenoxycarbonylphenoxycarbonylphenyl4benzyloxy3chlorobenzoate
AT anilkumarh crystalstructureandhirshfeldsurfaceanalysisof344cyanophenoxycarbonylphenoxycarbonylphenyl4benzyloxy3chlorobenzoate
AT srinivasaht crystalstructureandhirshfeldsurfaceanalysisof344cyanophenoxycarbonylphenoxycarbonylphenyl4benzyloxy3chlorobenzoate
AT palakshamurthybs crystalstructureandhirshfeldsurfaceanalysisof344cyanophenoxycarbonylphenoxycarbonylphenyl4benzyloxy3chlorobenzoate