1RS, 6SR)-Ethyl 4-(4-chlorophenyl)-6-(4fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate toluene hemisolvate

Dutkiewicz, G. and Narayana, B. and Veena, K. and Yathirajan, H. S. and Kubicki, M. (2011) 1RS, 6SR)-Ethyl 4-(4-chlorophenyl)-6-(4fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate toluene hemisolvate. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 67 (2). O334-U342. ISSN 1600-5368

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Official URL: doi:10.1107/S1600536811000158


In the crystal structure of the title compound, C21H18ClFO3 center dot-0.5C(7)H(8), the toluene solvent molecules occupy special positions on centres of symmetry, and consequently are disordered across this site. The cyclohexene ring has a slightly distorted sofa conformation; the two benzene rings are inclined by 72.90 (7)degrees and their planes make dihedral angles of 30.09 (10) (chlorophenyl) and 88.13 (6)degrees (fluorophenyl) with the approximately planar part of the cyclohexenone ring maximum deviation from plane through five atoms is 0.030 (2) angstrom, the sixth atom is 0.672 (3)angstrom out of this plane]. Weak intermolecular C-H center dot center dot center dot O and C-H center dot center dot center dot X (X = F, Cl) interactions join molecules into a three-dimensional structure. Also, a relatively short and directional C-Cl center dot center dot center dot F-C contact is observed Cl center dot center dot center dot F = 3.119 (2) angstrom, C-Cl center dot center dot center dot F = 157.5 (2)degrees and C-F center dot center dot center dot Cl 108.3 (2)degrees]. The solvent molecules fill the voids in the crystal structure and are kept there by relatively short and directional C-H center dot center dot center dot pi interactions.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: Users 23 not found.
Date Deposited: 24 Jun 2019 10:18
Last Modified: 24 Jun 2019 10:18
URI: http://eprints.uni-mysore.ac.in/id/eprint/2564

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