Jiang Quan-Fu, Lu Chun-Xiong
Key Laboratory of Nuclear Medicine, Ministry of Health, Jiangsu Key Laboratory of Molecular Nuclear Medicine, Jiangsu Institute of Nuclear Medicine, Wuxi 214063, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 23;66(Pt 7):o1727. doi: 10.1107/S1600536810022816.
In the title compound, C(18)H(24)N(4)O·H(2)O, the piperizine ring adopts a chair conformation and the dihedral angle between the phenyl and pyridine rings is 39.9 (3)°. The comformations of the attachment of the anisole and N-ethyl-pyridin-2-amine groups to the piperazine ring are +anti-periplanar. An intra-molecular C-H⋯O inter-action occurs. In the crystal, the water mol-ecule links the mol-ecules into chains through O-H⋯N hydrogen bonds. Weak N-H⋯O, C-H⋯N and C-H⋯O inter-actions further stabilize the crystal structure.
在标题化合物C(18)H(24)N(4)O·H(2)O中，哌嗪环呈椅式构象，苯环和吡啶环之间的二面角为39.9 (3)°。苯甲醚和N-乙基吡啶-2-胺基团与哌嗪环相连的构象为+反式共平面。存在分子内C-H⋯O相互作用。在晶体中，水分子通过O-H⋯N氢键将分子连接成链。弱的N-H⋯O、C-H⋯N和C-H⋯O相互作用进一步稳定了晶体结构。
