Lu Haiyan
The Graduate School of the Chinese Academy of Sciences, Beijing 100049, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 6;64(Pt 10):o1885. doi: 10.1107/S1600536808027499.
In the crystal structure of the title compound, C(13)H(11)N(3)O(8)S(2), mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds into zigzag chains running parallel to the c axis. Centrosymmetrically related chains are further stabilized by aromatic π-π stacking inter-actions [centroid-centroid distance = 3.749 (3) Å] involving adjacent 4-nitro-benzene rings. Intra-molecular C-H⋯O hydrogen bonds are also present.
在标题化合物C₁₃H₁₁N₃O₈S₂的晶体结构中,分子通过分子间C-H⋯O氢键连接成平行于c轴的锯齿链。通过涉及相邻4-硝基苯环的芳香π-π堆积相互作用[质心-质心距离 = 3.749 (3) Å],中心对称相关的链进一步得到稳定。分子内也存在C-H⋯O氢键。