Abstract
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).
Original language | English |
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Pages (from-to) | o2464 |
Journal | Acta Crystallographica Section E: Structure Reports Online |
Volume | 64 |
Issue number | 12 |
DOIs | |
State | Published - 2008 |
ASJC Scopus subject areas
- Chemistry (all)
- Materials Science (all)
- Condensed Matter Physics