Portilla Jaime, Estupiñan Diego, Cobo Justo, Glidewell Christopher
Grupo de Investigación en Compuestos Bio-orgánicos, Departamento de Química, Universidad de los Andes, Cra. 1E No. 18A-10, Edificio H, AA 4976, Bogotá DC, Colombia.
Acta Crystallogr C. 2010 Mar;66(Pt 3):o133-6. doi: 10.1107/S0108270110003549. Epub 2010 Feb 24.
The title compound, C(19)H(16)N(6), crystallizes with Z' = 2 in the space group P2(1)/n. The two molecules in the selected asymmetric unit are approximate mirror images of one another; most corresponding pairs of atoms are related by an approximate half-cell translation along [100]. Each molecule contains an intramolecular N-H...N hydrogen bond and the molecules are linked into complex sheets by a combination of two intermolecular N-H...N and four C-H...pi(arene) hydrogen bonds. Comparisons are made with some other 7-aminopyrazolo[1,5-a]pyrimidines.
标题化合物C(19)H(16)N(6)以Z' = 2的形式结晶于空间群P2(1)/n中。选定不对称单元中的两个分子彼此近似为镜像;大多数相应的原子对通过沿[100]方向的近似半晶胞平移相关联。每个分子包含一个分子内N-H...N氢键,并且这些分子通过两个分子间N-H...N和四个C-H...π(芳烃)氢键的组合连接成复杂的层状结构。与其他一些7-氨基吡唑并[1,5-a]嘧啶进行了比较。