Shao Zhi-Dong, Jiang Xiao, Lan Shao-Min, Di Wen-Jing, Liang Yun-Xiao
State Key Lab. Base of Novel Functional Materials and Preparation Science, Faculty of Materials Science and Chemical Engineering, Ningbo University, Ningbo, Zhejiang, 315211, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 23;66(Pt 7):o1757-8. doi: 10.1107/S1600536810023603.
In the crystal structure of the title compound, C(7)H(6)N(3)O(2) (+)·H(2)PO(4) (-)·C(7)H(5)N(3)O(2)·2H(2)O, the components are connected through O-H⋯O, N-H⋯O and O-H⋯N hydrogen-bonding inter-actions, forming a sheet-like structure parallel to (101). Adjacent sheets are further linked together by strong O-H⋯O hydrogen-bonds involving the dihydrogenphosphate groups. π-π stacking inter-actions between neighbouring aromatic constituents [centroid-centroid distance 3.653 (3) Å] help to consolidate the crystal packing.
在标题化合物C₇H₆N₃O₂⁺·H₂PO₄⁻·C₇H₅N₃O₂·2H₂O的晶体结构中，各组分通过O—H⋯O、N—H⋯O和O—H⋯N氢键相互作用连接在一起，形成了平行于(101)的层状结构。相邻的层通过涉及磷酸二氢根基团的强O—H⋯O氢键进一步连接在一起。相邻芳香成分之间的π-π堆积相互作用[质心-质心距离3.653 (3) Å]有助于巩固晶体堆积。
