Qu Bao-Hua, Jia Xiao-Chuan, Li Jing, He Ming-Yang
Key Laboratory of Fine Petrochemical Technology, Changzhou University, Changzhou 213164, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o376. doi: 10.1107/S1600536813003206. Epub 2013 Feb 13.
In the title compound, C10H6F2N4, the Car-N bonds are slightly shortened with respect to a standard aniline C-N bond [1.3580 (16) and 1.3618 (16) versus 1.39 Å], thus indicating some π-π conjgation with the electron-acceptor CN groups. The mol-ecule, except for two C atom of the ethyl-ene bridge, is nearly planar, the largest deviation of the other non-H atoms from the mean plane being 0.309 (2) Å. The N-C-C-N torsion angle involving the ethyl-ene bridge is 50.23 (18)°. In the crystal, mol-ecules are connected by pairs of N-H⋯N hydrogen bonds into chains along [21-1].
在标题化合物C₁₀H₆F₂N₄中，与标准苯胺C-N键[1.3580 (16) Å和1.3618 (16) Å对比1.39 Å]相比，Cₐᵣ-N键略有缩短，因此表明与电子受体CN基团存在一些π-π共轭。除乙烯桥的两个C原子外，分子近乎平面，其他非H原子与平均平面的最大偏差为0.309 (2) Å。涉及乙烯桥的N-C-C-N扭转角为50.23 (18)°。在晶体中，分子通过N-H⋯N氢键对沿[21 -1]方向连接成链。
