Structures of chlorinated methoxybiphenyls. II. 2,2',4,4',5',6-hexachloro-3-methoxybiphenyl

2,2′,3,4,4′,5,5′-Heptachlorobiphenyl (PCB 180)

“…tuted PCB derivatives are 47-51 (Kania-Korwel et al, 2004;Lehmler et al, 2001;McKinney & Singh, 1988;van der Sluis et al, 1990), 59-75 (Miao et al, 1997;Rissanen et al, 1988a;Rømming et al, 1974;Singh et al, 1986), 82-83 (Lehmler et al, 2005;Rissanen et al, 1988b) and 84-87 (Pedersen, 1975;Shaikh et al, 2006;Singh & McKinney, 1979), respectively. As with the title compound, (I), the calculated dihedral angles are typically larger than the solid-state dihedral angles (viz.…”

2,2′,5′,6-Tetrachloro-4-[(1S)-1-methylpropoxy]biphenyl

“…The dihedral angle between the two phenyl rings of the title compound, an important determinant of the toxicity of PCBs, was 84.40 (7)°. Comparable solid state dihedral (82-83°) have been reported for structurally related PCB derivatives with three ortho chlorine substituents (Lehmler et al, 2005;Rissanen et al, 1988b). Slightly larger (84-87°) dihedral angles have been observed for PCB derivatives with four ortho chlorine substituents (Pedersen, 1975;Singh & McKinney, 1979).…”

“…For crystal structures of PCB derivatives with two or less ortho chlorine substituents, see: Mannila & Rissanen (1994); Miao et al (1996); Rissanen et al (1988a); Shaikh et al (2008); Singh et al (1986); van der Sluis et al (1990); Vyas et al (2006). For crystal structures of PCB derivatives with three ortho chlorine substituents, see: Lehmler et al (2005); Rissanen et al (1988b). For crystal structures of PCB derivatives with four ortho chlorine substituents, see: Pedersen (1975); Singh & McKinney (1979).…”

2,5-Dichloro-4′-methoxybiphenyl

“…According to our review of the literature, the experimental dihedral angles for mono-, di-, tri-and tetra-ortho Cl-substituted PCB derivatives are 47-51 (Kania-Korwel et al, 2004;Lehmler et al, 2001;McKinney & Singh, 1988;Sluis et al, 1990), 59-75 (Vyas et al, 2006;Miao et al, 1997;Rissanen et al, 1988a;Rømming et al, 1974;Singh et al, 1986), 82-83 (Lehmler et al, 2005;Rissanen et al, 1988b) and 84-87 (Pedersen, 1975;Shaikh et al, 2006;Singh & McKinney, 1979), respectively. As a result of crystal packing effects, the calculated dihedral angles of these PCB derivatives (viz., 57.7 , 73.0 , 89.8 and 89.9 for mono-, di-, tri-and tetra-ortho Clsubstituted PCB derivatives, respectively), in contrast to the title compound, are larger than the solid state dihedral angles.…”