Shan Shang, Tian Yu-Liang, Wang Shan-Heng, Wang Wen-Long, Xu Ying-Li
College of Chemical Engineering and Materials Science, Zhejiang University of Technology, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 13;64(Pt 7):o1265. doi: 10.1107/S1600536808017479.
In the title compound, C(12)H(11)N(5)O(2), the mol-ecule adopts an E configuration, with the benzene and pyrazine rings located on opposite sides of the N=C double bond. The face-to-face separations of 3.413 (14) and 3.430 (8) Å, respectively between parallel benzene rings and between pyrazine rings indicate the existence of π-π stacking between adjacent mol-ecules. The crystal structure also contains N-H⋯N and C-H⋯O hydrogen bonding.
在标题化合物C₁₂H₁₁N₅O₂中，分子呈E构型，苯环和吡嗪环位于N=C双键的两侧。平行的苯环之间以及吡嗪环之间的面对面间距分别为3.413(14) Å和3.430(8) Å，这表明相邻分子之间存在π-π堆积。晶体结构中还存在N-H⋯N和C-H⋯O氢键。
