3′,4′-Dichloro­biphenyl-4-yl 2,2,2-trichloro­ethyl sulfate

Xueshu Li; Sean Parkin; Michael W Duffel; Larry W Robertson; Hans-Joachim Lehmler

doi:10.1107/S1600536810020362

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3′,4′-Dichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate

Journal article

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3′,4′-Dichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate

Xueshu Li, Sean Parkin, Michael W Duffel, Larry W Robertson and Hans-Joachim Lehmler

Acta crystallographica. Section E, Structure reports online, Vol.66(Pt 7), pp.o1615-o1616

06/09/2010

DOI: 10.1107/S1600536810020362

PMCID: PMC3006693

PMID: 21587847

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Abstract

The four independent molecules in the asymmetric unit of the title compound, C 14 H 9 Cl 5 O 4 S, are related by pseudo-inversion centres. The molecules have C aromatic —O bond lengths ranging from 1.426 (10) to 1.449 (9) Å and biphenyl-4-yl sulfate ester bond lengths ranging from 1.563 (6) to 1.586 (6) Å, which is comparable to structurally related sulfuric acid diesters. The dihedral angles between the benzene rings range from 22.5 (4) to 29.1 (4)° and are significantly smaller than the calculated dihedral angle of 41.2°.

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Details

Title: Subtitle: 3′,4′-Dichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate
Creators: Xueshu Li - The University of Iowa, Department of Occupational and Environmental Health, UI Research Campus, 124 IREH, Iowa City, IA 52242-5000
Sean Parkin - University of Kentucky, Department of Chemistry, Lexington, KY 40506-0055
Michael W Duffel - Division of Medicinal and Natural Products Chemistry, College of Pharmacy, University of Iowa, Iowa City, IA 52242
Larry W Robertson - The University of Iowa, Department of Occupational and Environmental Health, UI Research Campus, 124 IREH, Iowa City, IA 52242-5000
Hans-Joachim Lehmler - The University of Iowa, Department of Occupational and Environmental Health, UI Research Campus, 124 IREH, Iowa City, IA 52242-5000
Resource Type: Journal article
Publication Details: Acta crystallographica. Section E, Structure reports online, Vol.66(Pt 7), pp.o1615-o1616
DOI: 10.1107/S1600536810020362
PMID: 21587847
PMCID: PMC3006693
NLM abbreviation: Acta Crystallogr Sect E Struct Rep Online
eISSN: 1600-5368
Publisher: International Union of Crystallography
Alternative title: C14H9Cl5O4S
Language: English
Date published: 06/09/2010
Academic Unit: Occupational and Environmental Health; Iowa Neuroscience Institute; Pharmaceutical Sciences and Experimental Therapeutics; Iowa Superfund Research Program; Medicinal and Natural Products Chemistry
Record Identifier: 9984000934002771

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