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 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)°.

Document Type

Article

Publication Date

4-2013

Notes/Citation Information

Published in Acta Crystallographica Section E: Crystallographic Communications, v. 69, part 4, p. o620.

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

Digital Object Identifier (DOI)

https://doi.org/10.1107/S1600536813007976

Funding Information

This research was supported by grants ES05605, ES013661 and ES017425 from the National Institute of Environmental Health Sciences, NIH.

Related Content

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: YK2088).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536813007976/yk2088sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536813007976/yk2088Isup2.hkl

Supporting information file. DOI: 10.1107/S1600536813007976/yk2088Isup3.cml

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3D view of crystallographic information

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yk2088.pptx (141 kB)
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yk2088sup1.cif (26 kB)
Crystal structure: contains datablocks I, global.
yk2088Isup2.hkl (325 kB)
Structure factors: contains datablock I.
yk2088Isup3.cml (5 kB)
Supporting information file.
yk2088fig1.pptx (865 kB)
Supporting figures: Fig. 1.
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