The three-dimensional structure of 3, 3', 5'-trichloro-4-methoxybiphenyl, a "coplanar" polychlorinated biphenyl (PCB) derivative.
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.
Lehmler
Hans-Joachim
HJ
Department of Chemistry, Graduate Center for Toxicology, Chandler Medical Center, University of Kentucky, Lexington 40536-0305, USA.
Parkin
Sean
S
Robertson
Larry W
LW
D001713:Biphenyl Compounds / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008958:Models, Molecular
C461340:3, 3', 5'-trichloro-4-methoxybiphenyl; D001713:Biphenyl Compounds