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Ethyl 2,6-bis-(4-bromo-phen-yl)-1-iso-cyano-4-oxo-cyclo-hexa-necarboxyl-ate.

作者信息

Zhang Dawei, Hao Linlin, Li Jing

机构信息

College of Agricultural Sciences, Jilin University, Changchun, Jilin Province 130062, People's Republic of China.

College of Life Sciences and Biotechnology, Heilongjiang Bayi Agricultural University, Heilongjiang Province 163319, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Jul 5;70(Pt 8):o856. doi: 10.1107/S160053681401530X. eCollection 2014 Aug 1.

DOI:10.1107/S160053681401530X
PMID:25249907
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4158533/
Abstract

In the title compound, C22H19Br2NO3, the central oxo-cyclo-hexane ring is in a twist-boat conformation; all the substituents (one eth-oxy-carbonyl and two aryl groups) are located in equatorial orientations. One of the -CH2- groups and the opposite -CH- group bearing a bromo-benzene substituent form the flagpoles of the twist-boat. The dihedral angle between the aromatic rings is 76.4 (4)°. In the crystal, weak C-H⋯O inter-actions link the mol-ecules into C(5) chains propagating in the [010] direction. A short Br⋯O contact of 3.254 (4) Å is observed.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d25/4158533/a99944da6720/e-70-0o856-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d25/4158533/a99944da6720/e-70-0o856-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d25/4158533/a99944da6720/e-70-0o856-fig1.jpg

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