Al-Dajani Mohammad T M, Talaat Jamal, Shamsuddin Shaharum, Hemamalini Madhukar, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 9;67(Pt 3):o591-2. doi: 10.1107/S1600536811004119.
The asymmetric unit of the title compound, 2C(5)H(8)N(3) (+)·2C(2)HO(4) (-)·H(2)O, contains two crystallographically independent 2,6-diamino-pyridinium cations, a pair of hydrogen oxalate anions and a water mol-ecule. Both 2,6-diamino-pyridinium cations are planar, with maximum deviations of 0.011 (2) and 0.015 (1) Å, and are protonated at the pyridine N atoms. The hydrogen oxalate anions adopt twisted conformations and the dihedral angles between the planes of their carboxyl groups are 31.01 (11) and 63.48 (11)°. In the crystal, the cations, anions and water mol-ecules are linked via O-H⋯O and N-H⋯O hydrogen bonds, forming a three-dimensional network.
标题化合物2C₅H₈N₃⁺·2C₂HO₄⁻·H₂O的不对称单元包含两个晶体学独立的2,6-二氨基吡啶阳离子、一对草酸氢根阴离子和一个水分子。两个2,6-二氨基吡啶阳离子均为平面结构，最大偏差分别为0.011 (2) Å和0.015 (1) Å，且在吡啶N原子处质子化。草酸氢根阴离子呈扭曲构象，其羧基平面之间的二面角为31.01 (11)°和63.48 (11)°。在晶体中，阳离子、阴离子和水分子通过O—H⋯O和N—H⋯O氢键相连，形成三维网络。
