Cargando…

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

In the title compound, C(10)H(11)BrS(2), 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...

Descripción completa

Detalles Bibliográficos
Autores principales: Zukerman-Schpector, Julio, Caracelli, Ignez, Stefani, Hélio A., Gozhina, Olga, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350742/
https://www.ncbi.nlm.nih.gov/pubmed/25844236
http://dx.doi.org/10.1107/S2056989015002832
Descripción
Sumario:In the title compound, C(10)H(11)BrS(2), 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.