Yang Kang-Hui, Li Xun, Gong Jian-Zhi, Fang Hao, Xu Wen-Fang
Institute of Medicinal Chemistry, School of Pharmacy, Shandong University, Ji'nan 250012, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 26;64(Pt 12):o2447. doi: 10.1107/S1600536808039056.
The structure of the title compound, C(15)H(21)N(3)O(6)·H(2)O, is of inter-est with respect to assumed anti-cancer activity. The title mol-ecules are linked through inter-molecular O-H⋯O hydrogen-bonded chains along the a axis. These chains are connected by inter-molecular N-H⋯O hydrogen bonds through the crystallographic screw axis along [010], forming layers, which are stabilized by other N-H⋯O bonds with water O atoms as acceptors and O-H⋯O bonds with water H atoms as donors. The H atoms of the protonated amino cation are also involved in inter-molecular N-H⋯O bonding inter-actions.
标题化合物C(15)H(21)N(3)O(6)·H(2)O的结构因其假定的抗癌活性而备受关注。标题分子通过沿a轴的分子间O-H⋯O氢键链相连。这些链通过沿[010]方向的晶体学螺旋轴由分子间N-H⋯O氢键连接,形成层状结构,该结构通过以水分子O原子为受体的其他N-H⋯O键以及以水分子H原子为供体的O-H⋯O键得以稳定。质子化氨基阳离子的H原子也参与分子间N-H⋯O键合相互作用。