Yépes Andrés F, Palma Alirio, Marchal Antonio, Cobo Justo, Glidewell Christopher
Departamento de Química Inorgánica y Orgánica, Universidad de Jaén, 23071 Jaén, Spain.
Acta Crystallogr C. 2012 May;68(Pt 5):o199-203. doi: 10.1107/S0108270112017921. Epub 2012 Apr 26.
In both 2-amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine, C(12)H(13)N(5)O(2), (I), and ethyl N-[4-(1-adamantylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3-aminopropionate, C(19)H(28)N(6)O(3), (II), the nitrosopyrimidine unit is planar and the bond distances provide evidence for significant polarization of the electronic structures. In (II), the ethoxycarbonyl fragment of the molecule is disordered over two sets of sites with occupancies of 0.910 (4) and 0.090 (4). In the molecules of both compounds, there is an intramolecular N-H···O hydrogen bond. The molecules of (I) are linked into a chain of rings by a combination of N-H···O and C-H···O hydrogen bonds, while the molecules of (II) are linked by a two-centre N-H···N hydrogen bond and a three-centre N-H···(N,O) hydrogen bond to form sheets containing four distinct types of ring.
在2-氨基-6-甲氧基-4-（4-甲基苯胺基）-5-亚硝基嘧啶（C₁₂H₁₃N₅O₂，（I））和N-[4-（1-金刚烷基氨基）-2-氨基-5-亚硝基嘧啶-6-基]-3-氨基丙酸乙酯（C₁₉H₂₈N₆O₃，（II））中，亚硝基嘧啶单元都是平面的，键长为电子结构的显著极化提供了证据。在（II）中，分子的乙氧羰基片段在两组位置上无序，占有率分别为0.910（4）和0.090（4）。在这两种化合物的分子中，都存在分子内N-H···O氢键。（I）的分子通过N-H···O和C-H···O氢键的组合连接成环链，而（II）的分子通过双中心N-H···N氢键和三中心N-H···（N，O）氢键连接，形成包含四种不同类型环的片层。
