title: Crystal structure of 2-(3-bromo-phen-yl)-1,3-di-thiane.
abstract: In the title compound, C10H11BrS2, the 1,3-di-thiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the remaining four atoms. The bromo-benzene ring occupies an equatorial position and forms a dihedral angle of 86.38 (12)° with the least-squares plane through the 1,3-di-thiane ring. Thus, to a first approximation the mol-ecule has mirror symmetry with the mirror containing the bromo-benzene ring and the 1,4-disposed C atoms of the 1,3-di-thiane ring. In the crystal, mol-ecules associate via weak methyl-ene-bromo-benzene C-H⋯π and π-π [Cg⋯Cg = 3.7770 (14) Å for centrosymmetrically related bromo-benzene rings] inter-actions, forming supra-molecular layers parallel to [10-1]; these stack with no specific inter-molecular inter-actions between them.
authors.affiliation: Departmento de Química, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil.
authors.forename: Julio
authors.initials: J
authors.lastname: Zukerman-Schpector
authors.affiliation: Departmento de Física, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil.
authors.forename: Ignez
authors.initials: I
authors.lastname: Caracelli
authors.affiliation: Departamento de Farmácia, Faculdade de Ciências Farmacêuticas, Universidade de São Paulo, 05508-900 São Paulo-SP, Brazil.
authors.forename: Hélio A
authors.initials: HA
authors.lastname: Stefani
authors.affiliation: Departamento de Farmácia, Faculdade de Ciências Farmacêuticas, Universidade de São Paulo, 05508-900 São Paulo-SP, Brazil.
authors.forename: Olga
authors.initials: O
authors.lastname: Gozhina
authors.affiliation: Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.
authors.forename: Edward R T
authors.initials: ER
authors.lastname: Tiekink
keywords: 1,3-di­thiane; C—H⋯π inter­actions; conformation; crystal structure; π–π inter­actions