2-methyl-2-(3-nitrophenyl)-1,3-dithiane

Abstract

The title compound, C11H13NO2S2, contains a 1,3-dithiane ring in an almost ideal chair conformation with the following puckering parameters: Q = 0.7252 (15) Å, = 6.71 (13) and φ = 50.4 (11)°. The benzene ring occupies an axial position at the dithiane ring. The nitro group is almost coplanar with the benzene ring [O - N - C - C = -3.2 (2)°]. The molecule has an L-shape with a C - C - C - C torsion angle of -74.15 (17)°for the atoms of the methyl group and the dithiane-benzene linkage. The crystal packing is stabilized only via weak non-specific van der Waals interactions.