Tang Shi-Gui, Wang Jian-Qiang, Guo Cheng
College of Science, Nanjing University of Technolgy, Xinmofan Road No. 5 Nanjing, Nanjing 210009, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 11;65(Pt 8):o1849. doi: 10.1107/S1600536809025604.
In the mol-ecule of the title compound, C(21)H(22)N(4)O(3), the pyrimidine ring is oriented at dihedral angles of 0.51 (3) and 50.76 (3)° to the pyridine and benzene rings, respectively. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into centrosymmetric dimers, forming R(2) (2)(24) ring motifs; the dimers are linked by inter-molecular C-H⋯O hydrogen bonds into a two-dimensional network. π-π contacts between the benzene rings and between the pyrimidine and pyridine rings [centroid-centroid distances = 3.891 (1) and 3.646 (1) Å, respectively] may further stabilize the structure. Two weak C-H⋯π inter-actions are also present.
在标题化合物C₂₁H₂₂N₄O₃的分子中，嘧啶环与吡啶环和苯环的二面角分别为0.51（3）°和50.76（3）°。在晶体结构中，分子间的N - H⋯N氢键将分子连接成中心对称的二聚体，形成R₂²（24）环模式；二聚体通过分子间的C - H⋯O氢键连接成二维网络。苯环之间以及嘧啶环与吡啶环之间的π - π接触[质心 - 质心距离分别为3.891（1）和3.646（1）Å]可能进一步稳定该结构。还存在两种弱的C - H⋯π相互作用。
