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 t...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2015-03, Vol.71 (3), p.o179-o180
Hauptverfasser: Zukerman-Schpector, Julio, Caracelli, Ignez, Stefani, Hélio A., Gozhina, Olga, Tiekink, Edward R. T.
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Sprache:eng
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Zusammenfassung: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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989015002832