Habibi Mohammad Hossein, Zendehdel Mahmoud, Barati Kazem, Harrington Ross W, Clegg William
Catalysis Division, Chemistry Department, University of Isfahan, Isfahan 81746-73441, Iran.
Acta Crystallogr C. 2007 Aug;63(Pt 8):o474-6. doi: 10.1107/S0108270107031307. Epub 2007 Jul 26.
The crystal structure of the title compound, C(9)H(11)NO.C(9)H(9)N(5), contains one molecule of each component in the asymmetric unit. Approximately planar clusters of four molecules are formed by N-H...N and N-H...O hydrogen bonds, and further N-H...N hydrogen bonds link adjacent clusters to form pleated ribbons. pi-pi interactions are found between triazine and aldehyde benzene rings in different clusters, generating stacks along the monoclinic b axis. The intramolecular geometry of the two components is similar to that found in other crystal structures containing these molecules. Both molecules are approximately planar, except for methyl H atoms, with a small twist about the C-C bond linking the phenyl and triazine rings.
标题化合物C(9)H(11)NO·C(9)H(9)N(5)的晶体结构在不对称单元中包含每种组分的一个分子。通过N-H...N和N-H...O氢键形成了由四个分子组成的近似平面簇,并且进一步的N-H...N氢键连接相邻簇以形成褶皱带。在不同簇中的三嗪环和醛苯环之间发现了π-π相互作用,沿单斜b轴生成堆积。两种组分的分子内几何结构与在包含这些分子的其他晶体结构中发现的相似。除甲基氢原子外,两个分子均近似平面,围绕连接苯基和三嗪环的C-C键有小的扭曲。