Ethyl 2,6-bis­(4-chloro­phen­yl)-1-iso­cyano-4-oxo­cyclo­hexa­necarboxyl­ate

In the title compound, C(22)H(19)Cl(2)NO(3), the central six-membered ring is in a twist-boat conformation. The two aryl groups are in equatorial positions, trans to each other and with a dihedral angle of 77.50 (2)° between them. One of the least hindered –CH(2)– groups and one of the aryl-substitu...

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Detalles Bibliográficos
Autores principales: Zhang, Dawei, Yang, Peng, Liu, Wei, Li, Jing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120570/
https://www.ncbi.nlm.nih.gov/pubmed/25161583
http://dx.doi.org/10.1107/S160053681401383X
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author Zhang, Dawei
Yang, Peng
Liu, Wei
Li, Jing
author_facet Zhang, Dawei
Yang, Peng
Liu, Wei
Li, Jing
author_sort Zhang, Dawei
collection PubMed
description In the title compound, C(22)H(19)Cl(2)NO(3), the central six-membered ring is in a twist-boat conformation. The two aryl groups are in equatorial positions, trans to each other and with a dihedral angle of 77.50 (2)° between them. One of the least hindered –CH(2)– groups and one of the aryl-substituted C atoms, with its axial H atom, are in the flagpole positions. The eth­oxy­carbonyl group is in an equatorial position and is cis to the second aryl group. In the crystal, molecules are linked via weak C—H⋯O hydrogen bonds, forming chains along [010].
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spelling pubmed-41205702014-08-26 Ethyl 2,6-bis­(4-chloro­phen­yl)-1-iso­cyano-4-oxo­cyclo­hexa­necarboxyl­ate Zhang, Dawei Yang, Peng Liu, Wei Li, Jing Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(22)H(19)Cl(2)NO(3), the central six-membered ring is in a twist-boat conformation. The two aryl groups are in equatorial positions, trans to each other and with a dihedral angle of 77.50 (2)° between them. One of the least hindered –CH(2)– groups and one of the aryl-substituted C atoms, with its axial H atom, are in the flagpole positions. The eth­oxy­carbonyl group is in an equatorial position and is cis to the second aryl group. In the crystal, molecules are linked via weak C—H⋯O hydrogen bonds, forming chains along [010]. International Union of Crystallography 2014-06-21 /pmc/articles/PMC4120570/ /pubmed/25161583 http://dx.doi.org/10.1107/S160053681401383X Text en © Zhang et al. 2014 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 Organic Papers
Zhang, Dawei
Yang, Peng
Liu, Wei
Li, Jing
Ethyl 2,6-bis­(4-chloro­phen­yl)-1-iso­cyano-4-oxo­cyclo­hexa­necarboxyl­ate
title Ethyl 2,6-bis­(4-chloro­phen­yl)-1-iso­cyano-4-oxo­cyclo­hexa­necarboxyl­ate
title_full Ethyl 2,6-bis­(4-chloro­phen­yl)-1-iso­cyano-4-oxo­cyclo­hexa­necarboxyl­ate
title_fullStr Ethyl 2,6-bis­(4-chloro­phen­yl)-1-iso­cyano-4-oxo­cyclo­hexa­necarboxyl­ate
title_full_unstemmed Ethyl 2,6-bis­(4-chloro­phen­yl)-1-iso­cyano-4-oxo­cyclo­hexa­necarboxyl­ate
title_short Ethyl 2,6-bis­(4-chloro­phen­yl)-1-iso­cyano-4-oxo­cyclo­hexa­necarboxyl­ate
title_sort ethyl 2,6-bis­(4-chloro­phen­yl)-1-iso­cyano-4-oxo­cyclo­hexa­necarboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120570/
https://www.ncbi.nlm.nih.gov/pubmed/25161583
http://dx.doi.org/10.1107/S160053681401383X
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AT liuwei ethyl26bis4chlorophenyl1isocyano4oxocyclohexanecarboxylate
AT lijing ethyl26bis4chlorophenyl1isocyano4oxocyclohexanecarboxylate

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