Crystal structure of 2-(3-nitro-phen-yl)-1,3-di-thiane.

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作者:Caracelli Ignez, Zukerman-Schpector Julio, Stefani Hélio A, Gozhina Olga, Tiekink Edward R T
In the title compound, C10H11NO2S2, 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 nitro-benzene substituent occupies an equatorial position and forms a dihedral angle of 88.28†(5)° with the least-squares plane through the 1,3-di-thiane 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, mol-ecules aggregate into supra-molecular zigzag chains (glide symmetry along the c axis) via nitro-benzene N-O⋯π [N-O⋯Cg(benzene) = 3.4279†(18)†à and angle at O = 93.95†(11)°] inter-actions. The chains pack with no specific inter-molecular inter-actions between them.

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