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

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)°.

SUBMITTER: Lehmler HJ

PROVIDER: S-EPMC3629655 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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

Lehmler Hans-Joachim HJ He Xianran X Duffel Michael W MW Parkin Sean S

Acta crystallographica. Section E, Structure reports online 20130328 Pt 4

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-ec ...[more]

PMID: 23634142

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