Guo Yu-Ping
School of Pharmacy, Jiangxi Science and Technology Normal University, Jiangxi 330013, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 6;65(Pt 1):o22. doi: 10.1107/S1600536808040221.
In the title compound, C(6)H(6)N(2)O(4)·H(2)O, one carboxyl group is deprotonated and one imidazole N atom is protonated. The organic mol-ecule, excluding methyl H atoms, is essentially planar, with an r.m.s. deviation of 0.0156 (1) Å. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link mol-ecules into chains along the b axis; these chains are further linked via O-H⋯O hydrogen bonds involving the water O atoms and carboxyl O atoms, generating a two-dimensional supra-molecular framework.
在标题化合物C(6)H(6)N(2)O(4)·H(2)O中,一个羧基去质子化,一个咪唑N原子质子化。不包括甲基H原子的有机分子基本呈平面状,均方根偏差为0.0156 (1) Å。在晶体结构中,分子间的N-H⋯O氢键将分子沿b轴连接成链;这些链通过涉及水分子O原子和羧基O原子的O-H⋯O氢键进一步连接,形成二维超分子框架。