<HashMap><database>biostudies-literature</database><scores/><additional><submitter>Li X</submitter><funding>NIEHS NIH HHS</funding><pagination>o1073</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC2979148</full_dataset_link><repository>biostudies-literature</repository><omics_type>Unknown</omics_type><volume>66(Pt 5)</volume><pubmed_abstract>The mol-ecular structure of the title compound, C(14)H(11)Cl(3)O(4)S, displays a biphenyl dihedral angle of 4.9 (2)° between the benzene rings, which is significantly smaller than the calculated dihedral angle of 41.2° of biphenyl derivatives without ortho substituents. The C(Ar)-O bond length of 1.432 (4) Å is comparable with other sulfuric acid biphenyl-4-yl ester 2,2,2-trichloro-ether ester derivatives without electronegative substituents in the sulfated phenyl ring.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pubmed_title>Biphenyl-4-yl 2,2,2-trichloro-ethyl sulfate.</pubmed_title><pmcid>PMC2979148</pmcid><funding_grant_id>K25 ES012475</funding_grant_id><funding_grant_id>P30 ES005605</funding_grant_id><funding_grant_id>P42 ES013661</funding_grant_id><pubmed_authors>Li X</pubmed_authors><pubmed_authors>Duffel MW</pubmed_authors><pubmed_authors>Robertson LW</pubmed_authors><pubmed_authors>Parkin S</pubmed_authors><pubmed_authors>Lehmler HJ</pubmed_authors></additional><is_claimable>false</is_claimable><name>Biphenyl-4-yl 2,2,2-trichloro-ethyl sulfate.</name><description>The mol-ecular structure of the title compound, C(14)H(11)Cl(3)O(4)S, displays a biphenyl dihedral angle of 4.9 (2)° between the benzene rings, which is significantly smaller than the calculated dihedral angle of 41.2° of biphenyl derivatives without ortho substituents. The C(Ar)-O bond length of 1.432 (4) Å is comparable with other sulfuric acid biphenyl-4-yl ester 2,2,2-trichloro-ether ester derivatives without electronegative substituents in the sulfated phenyl ring.</description><dates><release>2010-01-01T00:00:00Z</release><publication>2010 Apr</publication><modification>2025-04-04T14:42:43.826Z</modification><creation>2019-03-27T00:00:23Z</creation></dates><accession>S-EPMC2979148</accession><cross_references><pubmed>21579128</pubmed><doi>10.1107/S1600536810012845</doi></cross_references></HashMap>