Zhao Ren-Gao, Zhang Wei, Li Ji-Kun, Zhang Li-Ya
Acta Crystallogr Sect E Struct Rep Online. 2008 May 17;64(Pt 6):o1113. doi: 10.1107/S1600536808014475.
In the title compound, C(9)H(11)N(3)O(2)S, intra-molecular O-H⋯O and N-H⋯N hydrogen bonds contribute to the planarity of the mol-ecular skeleton. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into zigzag chains along the b axis; these mol-ecules are futher paired by π-π inter-actions [centroid-centroid distance 4.495 (5) Å]. The crystal structure also exhibits weak inter-molecular N-H⋯S and O-H⋯S hydrogen bonds.
在标题化合物C₉H₁₁N₃O₂S中,分子内的O—H⋯O和N—H⋯N氢键有助于分子骨架的平面性。分子间的N—H⋯O氢键将分子沿b轴连接成锯齿链;这些分子通过π-π相互作用进一步配对[质心-质心距离4.495 (5) Å]。晶体结构还表现出较弱的分子间N—H⋯S和O—H⋯S氢键。