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

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.

SUBMITTER: Zhang D

PROVIDER: S-EPMC4158533 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature

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

Zhang Dawei D Hao Linlin L Li Jing J

Acta crystallographica. Section E, Structure reports online 20140705 Pt 8

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] dir ...[more]

PMID: 25249907

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