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The three-dimensional structure of 3, 3', 5'-trichloro-4-methoxybiphenyl, a "coplanar" polychlorinated biphenyl (PCB)
Hans-Joachim Lehmler1, Sean Parkin, Larry W Robertson
1Department of Chemistry, Graduate Center for Toxicology, Chandler Medical Center, University of Kentucky, Lexington 40536-0305, USA.
Chemosphere
|February 7, 2002
Abstract:
The crystal structure of a "coplanar" polychlorinated biphenyl (PCB) derivative, 4-methoxy-3, 3', 5'-trichlorobiphenyl (C13H9Cl3O), is described. The torsion angle of the title compound is 41.31(07) degrees, which is in good agreement with the calculated torsion angle of 38.2 degrees in aqueous solution.