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

Crystals of the title compound, C(14)H(8)Cl(6)O(4)S, 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...

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Autores principales: Lehmler, Hans-Joachim, He, Xianran, Duffel, Michael W., Parkin, Sean
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629655/
https://www.ncbi.nlm.nih.gov/pubmed/23634142
http://dx.doi.org/10.1107/S1600536813007976
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author Lehmler, Hans-Joachim
He, Xianran
Duffel, Michael W.
Parkin, Sean
author_facet Lehmler, Hans-Joachim
He, Xianran
Duffel, Michael W.
Parkin, Sean
author_sort Lehmler, Hans-Joachim
collection PubMed
description Crystals of the title compound, C(14)H(8)Cl(6)O(4)S, 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)°.
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spelling pubmed-36296552013-04-30 3,4′,5-Trichloro­biphenyl-4-yl 2,2,2-trichloro­ethyl sulfate Lehmler, Hans-Joachim He, Xianran Duffel, Michael W. Parkin, Sean Acta Crystallogr Sect E Struct Rep Online Organic Papers Crystals of the title compound, C(14)H(8)Cl(6)O(4)S, 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)°. International Union of Crystallography 2013-03-28 /pmc/articles/PMC3629655/ /pubmed/23634142 http://dx.doi.org/10.1107/S1600536813007976 Text en © Lehmler et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ 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.
spellingShingle Organic Papers
Lehmler, Hans-Joachim
He, Xianran
Duffel, Michael W.
Parkin, Sean
3,4′,5-Trichloro­biphenyl-4-yl 2,2,2-trichloro­ethyl sulfate
title 3,4′,5-Trichloro­biphenyl-4-yl 2,2,2-trichloro­ethyl sulfate
title_full 3,4′,5-Trichloro­biphenyl-4-yl 2,2,2-trichloro­ethyl sulfate
title_fullStr 3,4′,5-Trichloro­biphenyl-4-yl 2,2,2-trichloro­ethyl sulfate
title_full_unstemmed 3,4′,5-Trichloro­biphenyl-4-yl 2,2,2-trichloro­ethyl sulfate
title_short 3,4′,5-Trichloro­biphenyl-4-yl 2,2,2-trichloro­ethyl sulfate
title_sort 3,4′,5-trichloro­biphenyl-4-yl 2,2,2-trichloro­ethyl sulfate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629655/
https://www.ncbi.nlm.nih.gov/pubmed/23634142
http://dx.doi.org/10.1107/S1600536813007976
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AT hexianran 345trichlorobiphenyl4yl222trichloroethylsulfate
AT duffelmichaelw 345trichlorobiphenyl4yl222trichloroethylsulfate
AT parkinsean 345trichlorobiphenyl4yl222trichloroethylsulfate

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