Saeed Aamer, Simpson Jim
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 11;65(Pt 8):o1845. doi: 10.1107/S1600536809024271.
In the title compound, C(13)H(10)N(2)O(3), the central C-C(=O)-N-C amide unit makes dihedral angles of 21.68 (4) and 19.08 (4)°, respectively, with the phenyl and nitro-benzene rings. The two aromatic rings are inclined at 3.74 (3)° and the nitro group is skewed out of the attached benzene ring plane by 18.55 (8)°. An intra-molecular N-H⋯O inter-action to an O atom of the nitro substituent generates an S(6) ring motif. In the crystal, C-H⋯O contacts generate two centrosymmetric ring systems with R(2) (2)(14) and R(2) (2)(20) graph-set motifs, forming zigzag chains down the a axis. π-π inter-actions between adjacent phenyl and nitro-benzene rings [centroid-centroid distance = 3.6849 (6) Å] also form centrosymmetric dimers. These and an additional C-H⋯O hydrogen bond generate an extensive three-dimensional network structure.
在标题化合物C₁₃H₁₀N₂O₃中,中心的C-C(=O)-N-C酰胺单元分别与苯环和硝基苯环形成21.68 (4)°和19.08 (4)°的二面角。两个芳香环倾斜3.74 (3)°,硝基偏离所连接的苯环平面18.55 (8)°。分子内N-H⋯O与硝基取代基的一个O原子相互作用生成一个S(6)环模式。在晶体中,C-H⋯O接触产生两个具有R(2) (2)(14)和R(2) (2)(20)图形集模式的中心对称环系统,沿a轴形成锯齿链。相邻苯环和硝基苯环之间的π-π相互作用[质心-质心距离 = 3.6849 (6) Å]也形成中心对称二聚体。这些以及一个额外的C-H⋯O氢键生成一个广泛的三维网络结构。