Abstract
The asymmetric unit of the title compound, C21H18ClFO3, contains two independent molecules. In one molecule (A), the 4-chlorophenyl, oxocyclohex-3-ene, carboxylate, and ethyl groups were refined as disordered over two sets of sites with a 0.684 (5):0.316 (5) ratio. The cyclohexene ring in the disordered molecule is in a slightly distorted envelope conformation for the major component (with the C atom bound to the carboxylate group being the flap atom) and in a screw-boat conformation for the minor component. In the ordered molecule (B), the cyclohexene ring is in a half-chair conformation. The dihedral angles between the mean planes of the fluoro- and chloro-substituted benzene rings are 89.9 (7) (only the major component is considered for A) and 76.4 (7)° (B). In the crystal, inversion dimers are observed along with weak C—H⋯O hydrogen bonds, which form chains along [100].
Highlights
The asymmetric unit of the title compound, C21H18ClFO3, contains two independent molecules
4-chlorophenyl, oxocyclohex-3-ene, carboxylate, and ethyl groups were refined as disordered over two sets of sites with a
The cyclohexene ring in the disordered molecule is in a slightly distorted envelope conformation for the major component and in a screw-boat conformation for the minor component
Summary
Butcherd a Department of Studies in Chemistry, Mangalore University, Mangalagangotri. 574 199, India, bDepartment of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India, cDepartment of Chemistry, Keene State. 229 Main Street, Keene, NH 03435-2001, USA, and dDepartment of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA. Key indicators: single-crystal X-ray study; T = 123 K; mean (C–C) = 0.003 Å; disorder in main residue; R factor = 0.055; wR factor = 0.148; data-to-parameter ratio = 11.9
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
