title: The three-dimensional structure of 3,3',4,4'-tetrachlorobiphenyl, a dioxin-like polychlorinated biphenyl (PCB).
abstract: The crystal structure of PCB 77 (3,3',4,4'-tetrachlorobiphenyl, C(12)H(6)Cl(4)), a dioxin-like PCB congener, is described. The dihedral angle of PCB 77 is 43.94(6) degrees, which is slightly larger than calculated or experimental dihedral angles of biphenyl derivatives in solution but smaller than experimental dihedral angles in the gas phase.
authors.affiliation: The University of Iowa, Department of Occupational and Environmental Health, 100 Oakdale Campus, 124 IREH, Iowa City, IA 52242-5000, USA.
authors.forename: Nadim S
authors.initials: NS
authors.lastname: Shaikh
authors.forename: Sean
authors.initials: S
authors.lastname: Parkin
authors.forename: Gregor
authors.initials: G
authors.lastname: Luthe
authors.forename: Hans-Joachim
authors.initials: HJ
authors.lastname: Lehmler
mesh_terms: D018360:Crystallography, X-Ray; D008958:Models, Molecular; D015394:Molecular Structure; D011078:Polychlorinated Biphenyls / Q000737:chemistry*; D000072317:Polychlorinated Dibenzodioxins / Q000737:chemistry*
chemical_list: D000072317:Polychlorinated Dibenzodioxins; D011078:Polychlorinated Biphenyls