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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| Main Authors: | , , , , |
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| Format: | Article |
| Published: |
International Union of Crystallography
2015
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| Subjects: | |
| Online Access: | http://eprints.um.edu.my/19259/ http://dx.doi.org/10.1107/S2056989015002832 |
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| 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 [101]; these stack with no specific intermolecular interactions between them. |
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