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 88.28â (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 10.12â (3)°. In the crystal, mol-ecules aggregate into supra-molecular zigzag chains (glide symmetry along the c axis) via nitro-benzene N-Oâ¯Ï [N-Oâ¯Cg(benzene) = 3.4279â (18)â à and angle at O = 93.95â (11)°] inter-actions. The chains pack with no specific inter-molecular inter-actions between them.
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
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2015 | 起止号: | 2015 Feb 13; 71(Pt 3):o181-2 |
| doi: | 10.1107/S2056989015002844 | ||
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