3,4′,5-Trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate

Hans Joachim Lehmler; Xianran He; Michael W. Duffel; Sean Parkin

doi:10.1107/S1600536813007976

3,4′,5-Trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate

Hans Joachim Lehmler
, Xianran He
, Michael W. Duffel
, Sean Parkin

Chemistry

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

Crystals of the title compound, C₁₄H₈Cl6O ₄S, are twinned by inversion, with unequal components [0.85 (3):0.15 (3)]. The asymmetric unit contains two independent molecules that are related by a pseudo-inversion center. The C_ar-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 molecules are comparable to the structurally related 2,3,5,5-trichlorobiphenyl- 4-yl 2,2,2-trichloroethyl sulfate. The dihedral angles between the benzene rings in the two molecules are 37.8 (2) and 35.0 (2)°.

Original language	English
Pages (from-to)	o620
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	69
Issue number	4
DOIs	https://doi.org/10.1107/S1600536813007976
State	Published - Apr 2013

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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title = "3,4′,5-Trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate",

abstract = "Crystals of the title compound, C14H8Cl6O 4S, are twinned by inversion, with unequal components [0.85 (3):0.15 (3)]. The asymmetric unit contains two independent molecules that are related by a pseudo-inversion center. The Car-O [1.393 (9) and 1.397 (9) {\AA}] and ester S-O bond lengths [1.600 (5) and 1.590 (5) {\AA}] of both molecules are comparable to the structurally related 2,3,5,5-trichlorobiphenyl- 4-yl 2,2,2-trichloroethyl sulfate. The dihedral angles between the benzene rings in the two molecules are 37.8 (2) and 35.0 (2)°.",

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language = "English",

volume = "69",

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TY - JOUR

T1 - 3,4′,5-Trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate

AU - Lehmler, Hans Joachim

AU - He, Xianran

AU - Duffel, Michael W.

AU - Parkin, Sean

PY - 2013/4

Y1 - 2013/4

N2 - Crystals of the title compound, C14H8Cl6O 4S, are twinned by inversion, with unequal components [0.85 (3):0.15 (3)]. The asymmetric unit contains two independent molecules 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 molecules are comparable to the structurally related 2,3,5,5-trichlorobiphenyl- 4-yl 2,2,2-trichloroethyl sulfate. The dihedral angles between the benzene rings in the two molecules are 37.8 (2) and 35.0 (2)°.

AB - Crystals of the title compound, C14H8Cl6O 4S, are twinned by inversion, with unequal components [0.85 (3):0.15 (3)]. The asymmetric unit contains two independent molecules 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 molecules are comparable to the structurally related 2,3,5,5-trichlorobiphenyl- 4-yl 2,2,2-trichloroethyl sulfate. The dihedral angles between the benzene rings in the two molecules are 37.8 (2) and 35.0 (2)°.

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U2 - 10.1107/S1600536813007976

DO - 10.1107/S1600536813007976

M3 - Article

C2 - 23634142

AN - SCOPUS:84875994575

SN - 1600-5368

VL - 69

SP - o620

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 4

ER -

3,4′,5-Trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate

Abstract

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