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Crystal structure of phenyl 2,4,5-tri-chloro-benzene-sulfonate.

ABSTRACT: The title compound, C12H7Cl3O3S, was synthesized via a nucleophilic substitution reaction between phenol and 2,4,5-tri-chloro-benzene-sulfonyl chloride. The two aryl rings are oriented gauche to one another around the sulfonate S-O bond, with a C-S-O-C torsion angle of -70.68?(16)°, and the two rings are inclined to one another by 72.40?(7)°. In the crystal, mol-ecules are linked via various C-Cl?? inter-actions, forming ribbons propagating along [100]. Neighboring ribbons are linked by a weak C-Cl?? inter-action, forming layers parallel to (010).

SUBMITTER: Riley S

PROVIDER: S-EPMC4908567 | biostudies-literature | 2016 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of phenyl 2,4,5-tri-chloro-benzene-sulfonate.

Riley Sean S Staples Richard J RJ Biros Shannon M SM Ngassa Felix N FN

Acta crystallographica. Section E, Crystallographic communications 20160506 Pt 6

The title compound, C12H7Cl3O3S, was synthesized via a nucleophilic substitution reaction between phenol and 2,4,5-tri-chloro-benzene-sulfonyl chloride. The two aryl rings are oriented gauche to one another around the sulfonate S-O bond, with a C-S-O-C torsion angle of -70.68 (16)°, and the two rings are inclined to one another by 72.40 (7)°. In the crystal, mol-ecules are linked via various C-Cl⋯π inter-actions, forming ribbons propagating along [100]. Neighboring ribbons are linked by a weak C ...[more]

PMID: 27308043

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