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

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

In the title compound, C22H19Cl2NO3, 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 –CH2– groups and one of the aryl-substituted C atom...

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Bibliographic Details
Main Authors: Dawei Zhang, Peng Yang, Wei Liu, Jing Li
Format: Article
Language:English
Published: International Union of Crystallography 2014-07-01
Series:Acta Crystallographica Section E
Subjects:
crystal structure
Online Access:http://scripts.iucr.org/cgi-bin/paper?S160053681401383X
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spelling doaj-ef9c6272a5464608ab2e04a4e264209f2020-11-24T21:30:56ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-07-01707o802o80210.1107/S160053681401383Xlr2127Ethyl 2,6-bis(4-chlorophenyl)-1-isocyano-4-oxocyclohexanecarboxylateDawei Zhang0Peng Yang1Wei Liu2Jing Li3College of Agricultural Sciences, Jilin University, Changchun, Jilin Province 130062, People's Republic of ChinaCollege of Agricultural Sciences, Jilin University, Changchun, Jilin Province 130062, People's Republic of ChinaCollege of Agricultural Sciences, Jilin University, Changchun, Jilin Province 130062, People's Republic of ChinaCollege of Life Sciences and Biotechnology, Heilongjiang Bayi Agricultural University, Heilongjiang Province 163319, People's Republic of ChinaIn the title compound, C22H19Cl2NO3, 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 –CH2– 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].http://scripts.iucr.org/cgi-bin/paper?S160053681401383Xcrystal structure
collection DOAJ
language English
format Article
sources DOAJ
author Dawei Zhang
Peng Yang
Wei Liu
Jing Li
spellingShingle Dawei Zhang
Peng Yang
Wei Liu
Jing Li
Ethyl 2,6-bis(4-chlorophenyl)-1-isocyano-4-oxocyclohexanecarboxylate
Acta Crystallographica Section E
crystal structure
author_facet Dawei Zhang
Peng Yang
Wei Liu
Jing Li
author_sort Dawei Zhang
title Ethyl 2,6-bis(4-chlorophenyl)-1-isocyano-4-oxocyclohexanecarboxylate
title_short 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_sort ethyl 2,6-bis(4-chlorophenyl)-1-isocyano-4-oxocyclohexanecarboxylate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2014-07-01
description In the title compound, C22H19Cl2NO3, 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 –CH2– 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].
topic crystal structure
url http://scripts.iucr.org/cgi-bin/paper?S160053681401383X
work_keys_str_mv AT daweizhang ethyl26bis4chlorophenyl1isocyano4oxocyclohexanecarboxylate
AT pengyang ethyl26bis4chlorophenyl1isocyano4oxocyclohexanecarboxylate
AT weiliu ethyl26bis4chlorophenyl1isocyano4oxocyclohexanecarboxylate
AT jingli ethyl26bis4chlorophenyl1isocyano4oxocyclohexanecarboxylate
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