Zhang Zhao-Po, Wang Yuan, Lu Ming-Jia, Jia Lei-Wei, Qiao Hong-Chang
Department of Physics and Chemistry, Henan Polytechnic University, Jiaozuo 454000, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1413. doi: 10.1107/S1600536811017132. Epub 2011 May 14.
In the title compound, C(16)H(18)N(4)O(3)·2H(2)O, the dihedral angle between the pyrrole and pyridine rings in the hydrazone mol-ecule is 7.12 (3)°. In the crystal structure, inter-molecular N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds link the hydrazone and water mol-ecules into double layers parallel to (101). The crystal packing exhibits weak π-π inter-actions between the pyrrole and pyridine rings of neighbouring hydrazone mol-ecules [centroid-centroid distance = 3.777 (3) Å]. The crystal studied was a non-merohedral twin, the refined ratio of twin domains being 0.73 (3):0.27 (3).
在标题化合物C(16)H(18)N(4)O(3)·2H(2)O中,腙分子中吡咯环和吡啶环之间的二面角为7.12 (3)°。在晶体结构中,分子间的N-H⋯O、O-H⋯N和O-H⋯O氢键将腙分子和水分子连接成平行于(101)的双层结构。晶体堆积显示相邻腙分子的吡咯环和吡啶环之间存在弱的π-π相互作用[质心-质心距离 = 3.777 (3) Å]。所研究的晶体为非等轴孪晶,孪晶畴的精修比例为0.73 (3):0.27 (3)。