Asiri Abdullah M, Faidallah Hassan M, Ng Seik Weng, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2288. doi: 10.1107/S1600536812028346. Epub 2012 Jun 30.
In the title compound, C(11)H(8)N(2)O(2)S, there is a twist in the mol-ecule, with the dihedral angle between the five- and six-membered rings being 31.77 (9)°. The nitro group is slightly twisted out of the plane of the benzene ring to which it is attached [O-N-C-C torsion angle = 9.0 (3)°]. The S and N atoms are syn. In the crystal, supra-molecular layers parallel to (-204) are formed by C-H⋯O and C-H⋯N inter-actions. These layers are connected into a three-dimensional architecture by π-π inter-actions occurring between centrosymmetrically related benzene rings [centroid-centroid distance = 3.6020 (11) Å].
在标题化合物C₁₁H₈N₂O₂S中,分子存在扭曲,五元环和六元环之间的二面角为31.77 (9)°。硝基略微扭曲出其所连接的苯环平面[O-N-C-C扭转角 = 9.0 (3)°]。S和N原子为顺式。在晶体中,通过C-H⋯O和C-H⋯N相互作用形成了平行于(-204)的超分子层。这些层通过中心对称相关苯环之间发生的π-π相互作用连接成三维结构[质心-质心距离 = 3.6020 (11) Å]。