TY - JOUR
T1 - 4′-Chloro-biphenyl-4-yl 2,2,2-trichloro-ethyl sulfate
AU - Li, Xueshu
AU - Parkin, Sean
AU - Robertson, Larry W.
AU - Lehmler, Hans Joachim
PY - 2008
Y1 - 2008
N2 - The title compound, C14H10Cl4O4S, is an inter-mediate in the synthesis of the PCB sulfate monoester of 4′-chloro-biphenyl-4-ol. Both the sulfate monoester and 4′-chloro-biphenyl-4-ol are metabolites of PCB 3 (4-chloro-biphen-yl). There are two mol-ecules with different conformations in the asymmetric unit. The solid state dihedral angles between the benzene rings are 18.52 (10) and 41.84 (16)°in the two mol-ecules, whereas the dihedral angles between the least-squares plane of the sulfated benzene ring and O - S (Ar - C - O - S) are 66.2 (3) and 89.3 (3)°. The crystal was an inversion twin with a refined component fraction of 0.44 (7).
AB - The title compound, C14H10Cl4O4S, is an inter-mediate in the synthesis of the PCB sulfate monoester of 4′-chloro-biphenyl-4-ol. Both the sulfate monoester and 4′-chloro-biphenyl-4-ol are metabolites of PCB 3 (4-chloro-biphen-yl). There are two mol-ecules with different conformations in the asymmetric unit. The solid state dihedral angles between the benzene rings are 18.52 (10) and 41.84 (16)°in the two mol-ecules, whereas the dihedral angles between the least-squares plane of the sulfated benzene ring and O - S (Ar - C - O - S) are 66.2 (3) and 89.3 (3)°. The crystal was an inversion twin with a refined component fraction of 0.44 (7).
UR - http://www.scopus.com/inward/record.url?scp=57349170836&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=57349170836&partnerID=8YFLogxK
U2 - 10.1107/S1600536808038865
DO - 10.1107/S1600536808038865
M3 - Article
C2 - 21581432
AN - SCOPUS:57349170836
SN - 1600-5368
VL - 64
SP - o2464
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 12
ER -