Rodríguez Ricaurte, Cobo Justo, Nogueras Manuel, Low John N, Glidewell Christopher
Departamento de Química Inorgánica y Orgánica, Universidad de Jaén, 23071 Jaén, Spain.
Acta Crystallogr C. 2007 Dec;63(Pt 12):o697-700. doi: 10.1107/S0108270107049931. Epub 2007 Nov 14.
The molecular dimensions of both 2-amino-6-(N-methylanilino)pyrimidin-4(3H)-one, C11H12N4O, (I), and 2-amino-6-(N-methylanilino)-5-nitropyrimidin-4(3H)-one, C11H11N5O3, (II), are consistent with considerable polarization of the molecular-electronic structures. The molecules of (I) are linked into a three-dimensional framework by a combination of one N-H...N hydrogen bond, two independent N-H...O hydrogen bonds and one C-H...pi(arene) hydrogen bond. The molecules of (II) are linked into ribbons containing three types of edge-fused ring by the combination of two independent three-centre N-H...(O)2 hydrogen bonds.
2-氨基-6-（N-甲基苯胺基）嘧啶-4（3H）-酮（C₁₁H₁₂N₄O，（I））和2-氨基-6-（N-甲基苯胺基）-5-硝基嘧啶-4（3H）-酮（C₁₁H₁₁N₅O₃，（II））的分子尺寸与分子电子结构的显著极化相一致。（I）的分子通过一个N-H...N氢键、两个独立的N-H...O氢键和一个C-H...π（芳烃）氢键的组合连接成三维框架。（II）的分子通过两个独立的三中心N-H...（O）₂氢键的组合连接成包含三种边缘稠合环的带。
