Crystal structure of 2-(3-bromophenyl)-1,3-dithiane

Document Type

Article

Publication Date

1-1-2015

Abstract

In the title compound, C10H11BrS2, the 1,3-dithiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the remaining four atoms. The bromobenzene ring occupies an equatorial position and forms a dihedral angle of 86.38 (12)° with the least-squares plane through the 1,3-dithiane ring. Thus, to a first approximation the molecule has mirror symmetry with the mirror containing the bromobenzene ring and the 1,4-disposed C atoms of the 1,3-dithiane ring. In the crystal, molecules associate via weak methylene-bromobenzene C - H⋯π and π-π [Cg⋯ Cg = 3.7770 (14) Å for centrosymmetrically related bromobenzene rings] interactions, forming supramolecular layers parallel to [101]; these stack with no specific intermolecular interactions between them.

Keywords

Crystal structure, 1, 3-di­thiane, Conformation, C-H...[pi] inter­actions, [pi]-[pi] inter­actions

Divisions

CHEMISTRY

Publication Title

Acta Crystallographica Section E: Crystallographic Communications

Volume

71

Issue

3

Publisher

International Union of Crystallography

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