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Logo of nihpaAbout Author manuscriptsSubmit a manuscriptNIH Public Access; Author Manuscript; Accepted for publication in peer reviewed journal;
Chemosphere. Author manuscript; available in PMC Feb 1, 2009.
Published in final edited form as:
PMCID: PMC2430941

The three-dimensional structure of 3,3′,4,4′-tetrachlorobiphenyl, a dioxin-like polychlorinated biphenyl (PCB)


The crystal structure of PCB 77 (3,3′,4,4′-tetrachlorobiphenyl, C12H6Cl4), a dioxin-like PCB congener, is described. The dihedral angle of PCB 77 is 43.94(6)°, 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.

Keywords: Environmental contaminants, dioxin-like PCBs, dihedral angle, crystal structure
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