Sun Feng, Shen Xuan, Zhao Rui, Wang Xin, Zhu Dun-Ru
State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemistry and Chemical Engineering, Nanjing University of Technology, Nanjing 210009, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2001. doi: 10.1107/S1600536812024713. Epub 2012 Jun 2.
In the title mol-ecule, C(11)H(6)F(2)N(2)O(2), the benzene and pyridine rings form a dihedral angle of 32.57 (6)°. The nitro group is tilted with respect to the pyridine ring by 12.26 (9)°. An intra-molecular C-H⋯F hydrogen bond is present. In the crystal, mol-ecules inter-act through π-π stacking inter-actions [centroid-centroid distances = 3.7457 (14) Å], forming columnar arrangements along the b axis. The crystal packing is further enforced by inter-molecular C-H⋯O and C-H⋯N hydrogen bonds.
在标题分子C(11)H(6)F(2)N(2)O(2)中，苯环和吡啶环形成的二面角为32.57 (6)°。硝基相对于吡啶环倾斜12.26 (9)°。存在分子内C-H⋯F氢键。在晶体中，分子通过π-π堆积相互作用[质心-质心距离 = 3.7457 (14) Å]相互作用，沿b轴形成柱状排列。分子间C-H⋯O和C-H⋯N氢键进一步加强了晶体堆积。
