Received 15 December 2009
aCollege of Pharmaceutical Sciences, Southwest University, Chong Qing 400716, People's Republic of China,bDepartment of Chemistry, University of Kentucky, Lexington, KY 40506-0055, USA, and cDepartment of Occupational and Environmental Health, The University of Iowa, 100 Oakdale Campus, 124 IREH, Iowa City, IA 52242-5000, USA
Correspondence e-mail: email@example.com
The molecule of the title compound, C8H8BrClO2, sits on a crystallographic inversion centre, which ensures that the halogen sites are disordered, with exactly 50% Br and 50% Cl at each halogen site. The inversion renders the two methoxy groups equivalent. These groups lie almost in the plane of the aromatic ring system, making dihedral angles of 8.8 (4)° to the ring.
For the synthesis of PCBs and PCB metabolites using the Suzuki coupling reaction, see: Lehmler & Robertson (2001); Song et al. (2008). For similar structures of halogenated methoxy-benzenes, see: Rissanen et al. (1988); Telu et al. (2008) and literature cited therein. For general background about PCBs, see: Hansen (1999); Robertson & Hansen (2001).
Data collection: COLLECT (Nonius, 1998); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO-SMN (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELX97 and local procedures.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SI2231 ).
This research was supported by grants ES05605, ES012475, ES013661 from the National Institute of Environmental Health Sciences, NIH, (HJL) and SWUB2008077 from the Science Foundation of Southwest University, China (YS).
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