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Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 28;69(Pt 4):o620. doi: 10.1107/S1600536813007976. Print 2013 Apr 1.

3,4',5-Trichloro-biphenyl-4-yl 2,2,2-trichloro-ethyl sulfate.

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  • 1The University of Iowa, Department of Occupational and Environmental Health, Iowa City, IA 52242, USA.

Abstract

Crystals of the title compound, C14H8Cl6O4S, are twinned by inversion, with unequal components [0.85 (3):0.15 (3)]. The asymmetric unit contains two independent mol-ecules that are related by a pseudo-inversion center. The Car-O [1.393 (9) and 1.397 (9) Å] and ester S-O bond lengths [1.600 (5) and 1.590 (5) Å] of both mol-ecules are comparable to the structurally related 2,3,5,5-trichloro-biphenyl-4-yl 2,2,2-trichloro-ethyl sulfate. The dihedral angles between the benzene rings in the two mol-ecules are 37.8 (2) and 35.0 (2)°.

PMID:
23634142
[PubMed]
PMCID:
PMC3629655
Free PMC Article
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