4′-Chloro-biphenyl-4-yl 2,2,2-trichloro-ethyl sulfate

Xueshu Li, Sean Parkin, Larry W. Robertson, Hans Joachim Lehmler

Research output: Contribution to journalArticlepeer-review

7 Scopus citations


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 languageEnglish
Pages (from-to)o2464
JournalActa Crystallographica Section E: Structure Reports Online
Issue number12
StatePublished - 2008

ASJC Scopus subject areas

  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics


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