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

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...

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Bibliographic Details
Main Authors: Julio Zukerman-Schpector, Ignez Caracelli, Hélio A. Stefani, Olga Gozhina, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2015-03-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015002832
Description
Summary: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 [10-1]; these stack with no specific intermolecular interactions between them.
ISSN:2056-9890