Rouchal Michal, Nečas Marek, Vícha Robert
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 24;65(Pt 7):o1676. doi: 10.1107/S1600536809023629.
The asymmetric unit of the title compound, C(25)H(30)ClN(5), consists of two mol-ecules with slightly different geometrical parameters. The dihedral angles between the purine and benzene rings are 39.54 (5) and 23.69 (5)° in the two mol-ecules. The adamantane cages consist of three fused cyclo-hexane rings in classical chair conformations, with C-C-C angles in the range 108 (2)-111 (2)°. In the crystal, mol-ecules are linked into dimers via two N-H⋯N hydrogen bonds.
标题化合物C(25)H(30)ClN(5)的不对称单元由两个几何参数略有不同的分子组成。在这两个分子中,嘌呤环和苯环之间的二面角分别为39.54 (5)°和23.69 (5)°。金刚烷笼由三个呈经典椅式构象的稠合环己烷环组成,C-C-C角在108 (2)-111 (2)°范围内。在晶体中,分子通过两个N-H⋯N氢键连接成二聚体。