title: Crystal structure of 2-(4-chloro-phen-yl)-2-oxoethyl 3-bromo-benzoate.
abstract: 2-(4-Chloro-phen-yl)-2-oxoethyl 3-bromo-benzoate, C15H10BrClO3, was synthesized in a single-step reaction by condensation of 3-bromo-benzoic acid with 2-bromo-1-(4-chloro-phen-yl)ethanone in di-methyl-formamide in the presence of tri-ethyl-amine as a catalyst. The structure consists of an aryl ketone moiety linked to an aryl ester unit by a methyl-ene group. Both units are reasonably planar (r.m.s. deviations of 0.119 and 0.010 Å for the aryl ketone and aryl ester units, respectively) and are almost orthogonal, with an angle of 88.60 (3)° between them. In the crystal, mol-ecules form five separate sets of inversion dimers. Three of these are generated by two C-H⋯O inter-actions and a C-H⋯Br contact, and form chains along c and along the ab cell diagonal. In addition, two inversion-related π-π stacking inter-actions between like aryl rings again form chains of mol-ecules but in this instance along the bc diagonal. These contacts generate infinite layers of mol-ecules parallel to (011) and stack the mol-ecules along the a-axis direction.
authors.affiliation: Department of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan ; School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, England.
authors.forename: Imtiaz
authors.initials: I
authors.lastname: Khan
authors.affiliation: Department of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan.
authors.forename: Aliya
authors.initials: A
authors.lastname: Ibrar
authors.affiliation: Department of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan.
authors.forename: Shahid
authors.initials: S
authors.lastname: Hameed
authors.affiliation: School of Chemistry and Bio-21 Institute, University of Melbourne, Parkville, Victoria 3052, Australia.
authors.forename: Jonathan M
authors.initials: JM
authors.lastname: White
authors.affiliation: Department of Chemistry, University of Otago, PO Box 56, Dunedin, New Zealand.
authors.forename: Jim
authors.initials: J
authors.lastname: Simpson
keywords: 2-(4-chloro­phen­yl)-2-oxoethyl 3-bromo­benzoate; crystal structure; inversion dimers; synthesis; π–π inter­actions