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

• Main Authors: Zukerman-Schpector, J., Caracelli, I., Stefani, H.A., Gozhina, O., Tiekink, E.R.T.
• Format: Article
• Published: International Union of Crystallography 2015
• Subjects: Q Science (General); QD Chemistry
• Online Access: http://eprints.um.edu.my/19259/; http://dx.doi.org/10.1107/S2056989015002832
• Institution: Universiti Malaya

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.