Kia Reza, Fun Hoong-Kun, Etemadi Bijan, Kargar Hadi
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 25;65(Pt 4):o833-4. doi: 10.1107/S1600536809009957.
In the title mol-ecule, C(15)H(14)N(4)O(4), the dihedral angle between the two benzene rings is 2.21 (7)°. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. The mean planes of the ortho- and para-nitro groups make dihedral angles of 2.17 (17) and 2.05 (16)°, respectively, with the benzene ring to which they are attached. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds generate R(2) (2)(7), R(2) (2)(13) and R(2) (1)(10) ring motifs, linking symmetry-related mol-ecules into extended chains along the b axis. In addition, there are inter-molecular C⋯C [3.332 (2)-3.343 (2) Å] contacts which are shorter than the sum of the van der Waals radii. The crystal structure is further stabilized by inter-molecular C-H⋯π and π-π stacking inter-actions [centroid-centroid distance = 3.8090 (9) Å].
在标题分子C(15)H(14)N(4)O(4)中,两个苯环之间的二面角为2.21 (7)°。分子内N-H⋯O氢键形成一个S(6)环模式。邻硝基和对硝基的平均平面与它们所连接的苯环分别形成2.17 (17)°和2.05 (16)°的二面角。在晶体结构中,弱分子间C-H⋯O氢键形成R(2) (2)(7)、R(2) (2)(13)和R(2) (1)(10)环模式,将对称相关的分子沿b轴连接成延伸链。此外,存在分子间C⋯C [3.332 (2)-3.343 (2) Å]接触,其短于范德华半径之和。晶体结构通过分子间C-H⋯π和π-π堆积相互作用[质心-质心距离 = 3.8090 (9) Å]进一步稳定。