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(1RS,6SR)-Ethyl 4-(2,4-dichloro-phen-yl)-6-(4-fluoro-phen-yl)-2-oxocyclo-hex-3-ene-1-carboxyl-ate.

作者信息

Dutkiewicz Grzegorz, Narayana B, Veena K, Yathirajan H S, Kubicki Maciej

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 22;67(Pt 2):o445-6. doi: 10.1107/S160053681100184X.

Abstract

There are two symmetry-independent mol-ecules in the asymmetric unit of the title compound, C(21)H(17)Cl(2)FO(3). Both these mol-ecules are very similar: the normal probability plots for bond lengths, angles and even for torsion angles show that the differences are of a statistical nature. A pseudocentre of symmetry is located between the symmetry-independent mol-ecules at [0.245 (1), 0.535 (19), 0.909 (1)]. The cyclo-hexene rings have slightly distorted sofa conformations in both mol-ecules and the two benzene rings are inclined by dihedral angles of 61.33 (14) and 62.85 (14)°. In the crystal, relatively short inter-molecular C-H⋯O inter-actions join mol-ecules into homomolecular (i.e. ⋯AAA⋯ and ⋯BBB⋯) chains along the b axis. These chains are inter-connected by further heteromolecular C-H⋯O inter-actions.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c537/3051448/7c72187f95ba/e-67-0o445-fig1.jpg

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