Kia Reza, Fun Hoong-Kun, Etemadi Bijan, Kargar Hadi
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 8;65(Pt 5):o966-7. doi: 10.1107/S1600536809009593.
The title compound, C(20)H(16)N(4)O(4), contains two crystallographically independent mol-ecules (A and B) in the asymmetric unit. Intra-molecular N-H⋯O hydrogen bonds generate S(6) ring motifs in both molecules. The dihedral angles between the nitro-substituted benzene rings and the two benzene rings in mol-ecules A and B are 14.32 (9), 17.89 (9)° and 13.04 (9) and 25.71 (9)°. The ortho and para nitro groups form dihedral angles of 6.2 (2) and 8.5 (2)° in mol-ecule A, and 5.3 (3) and 13.8 (2)° in mol-ecule B, with the benzene rings to which they are attached. The crystal structure is stabilized by inter-molecular C-H⋯O inter-actions.
标题化合物C(20)H(16)N(4)O(4)的不对称单元中包含两个晶体学独立的分子(A和B)。分子内N-H⋯O氢键在两个分子中均产生S(6)环 motif。分子A和B中硝基取代的苯环与两个苯环之间的二面角分别为14.32 (9)、17.89 (9)°以及13.04 (9)和25.71 (9)°。在分子A中,邻位和对位硝基与它们所连接的苯环形成的二面角分别为6.2 (2)和8.5 (2)°,在分子B中分别为5.3 (3)和13.8 (2)°。晶体结构通过分子间C-H⋯O相互作用得以稳定。