2010Acta Crystallographica Section E Structure Reports OnlineOpen access

Biphenyl-4-yl 2,2,2-trichloroethyl sulfate

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

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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.

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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.

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Available 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.

Key concepts: Biphenyl, Dihedral angle, Benzene, Chemistry, Ring (chemistry), Ether, Medicinal chemistry, Sulfuric acid

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