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

In the title compound, C 10 H 11 NO 2 S 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 nitrobenzene substituent occupies an equatorial position and forms a dihedral angle of 88.28 (5)° with the least-squares plane...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2015-03, Vol.71 (3), p.o181-o182
Hauptverfasser: Caracelli, Ignez, Zukerman-Schpector, Julio, 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 NO 2 S 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 nitrobenzene substituent occupies an equatorial position and forms a dihedral angle of 88.28 (5)° with the least-squares plane through the 1,3-dithiane ring. The nitro group is twisted out of the plane of the benzene ring to which it is connected, forming a dihedral angle of 10.12 (3)°. In the crystal, molecules aggregate into supramolecular zigzag chains (glide symmetry along the c axis) via nitro–benzene N—O...π [N—O... Cg (benzene) = 3.4279 (18) Å and angle at O = 93.95 (11)°] interactions. The chains pack with no specific intermolecular interactions between them.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989015002844