Li Ai-Min, Zhang Ya, Wang Zhi-Wei, Wan Chong-Qing
Department of Chemistry, Capital Normal University, Beijing 100048, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2285. doi: 10.1107/S1600536812028607. Epub 2012 Jun 30.
In the title compound, C(8)H(6)N(4)O(3)S, the dihedral angle between the pyrazine rings is 85.04 (1)°. In the crystal, mol-ecules are arranged along the a axis and are linked by C-H⋯N hydrogen bonds and pyrazine-pyrazine π-π inter-actions [centroid-centroid distance = 3.800 (1) Å, forming an infinite chain array. The chains are connected by C-H⋯O(oxide) hydrogen bonds into layers lying parallel to the ab plane. Along the c axis, the layers are stacked and linked through C-H⋯O(sulfon-yl) inter-actions, forming a three-dimensional network.
在标题化合物C₈H₆N₄O₃S中，吡嗪环之间的二面角为85.04（1）°。在晶体中，分子沿a轴排列，并通过C—H⋯N氢键和吡嗪-吡嗪π-π相互作用相连[质心-质心距离 = 3.800（1）Å]，形成无限链状阵列。这些链通过C—H⋯O（氧化物）氢键连接成平行于ab平面的层。沿c轴，这些层通过C—H⋯O（磺酰基）相互作用堆叠并相连，形成三维网络。
