Quiroga Jairo, Trilleras Jorge, Cobo Justo, Glidewell Christopher
Departamento de Química, Universidad de Valle, AA 25360 Cali, Colombia.
Acta Crystallogr C. 2010 Jan;66(Pt 1):o47-9. doi: 10.1107/S0108270109053906. Epub 2009 Dec 19.
In the title compound, C(11)H(11)N(3)O.0.5H(2)O, the water molecule lies across a twofold rotation axis in the space group Pbcn. The bond distances in the organic component provide evidence for polarization of the electronic structure. The molecular components are linked into puckered sheets of R(10)(8)(34) rings by a combination of O-H...N and N-H...O hydrogen bonds; adjacent sheets are weakly linked by an aromatic pi-pi stacking interaction. Comparisons are made with some fused-ring analogues.
在标题化合物C₁₁H₁₁N₃O·0.5H₂O中，水分子位于空间群Pbcn的二重旋转轴上。有机组分中的键长为电子结构的极化提供了证据。分子组分通过O—H…N和N—H…O氢键的组合连接成R₁₀⁸³⁴环的褶皱片层；相邻片层通过芳香π-π堆积相互作用弱连接。与一些稠环类似物进行了比较。
