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

ABSTRACT: In the crystal structure of the title compound, C(21)H(18)F(2)O(3), the cyclo-hexene ring has a slightly distorted sofa conformation; the two benzene rings are inclined by 76.27?(8)° and their planes make dihedral angles of 16.65?(10) and 67.53?(7)° with the approximately planar part of the cyclo-hexenone ring [maximum deviation 0.044?(2)?Å, while the sixth atom is displaced by 0.648?(3)?Å from this plane]. In the crystal, weak inter-molecular C-H?O, C-H?F and C-H?? inter-actions join mol-ecules into a three-dimensional structure.

SUBMITTER: Dutkiewicz G

PROVIDER: S-EPMC3051537 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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

Dutkiewicz Grzegorz G Narayana B B Veena K K Yathirajan H S HS Kubicki Maciej M

Acta crystallographica. Section E, Structure reports online 20110112 Pt 2

In the crystal structure of the title compound, C(21)H(18)F(2)O(3), the cyclo-hexene ring has a slightly distorted sofa conformation; the two benzene rings are inclined by 76.27 (8)° and their planes make dihedral angles of 16.65 (10) and 67.53 (7)° with the approximately planar part of the cyclo-hexenone ring [maximum deviation 0.044 (2) Å, while the sixth atom is displaced by 0.648 (3) Å from this plane]. In the crystal, weak inter-molecular C-H⋯O, C-H⋯F and C-H⋯π inter-actions join mol-ecules ...[more]

PMID: 21523019

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