Rouchal Michal, Nečas Marek, Vícha Robert
Acta Crystallogr Sect E Struct Rep Online. 2009 May 14;65(Pt 6):o1268. doi: 10.1107/S1600536809016596.
In the title compound, C(26)H(30)ClN(5)O·CHCl(3), the purine mol-ecule consists of essentially planar benzene and purine ring systems [maximum deviation 0.010 (4) Å for both ring systems] forming a dihedral angle of 85.52 (9)°. Inter-molecular N-H⋯N hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers. The structure also contains inter-molecular C-H⋯O and C-H⋯N inter-actions. The benzene rings form offset face-to-face π-π stacking inter-actions with an inter-planar distance of 3.541 (4) Å and a centroid-to-centroid distance of 4.022 (4) Å.
在标题化合物C(26)H(30)ClN(5)O·CHCl(3)中,嘌呤分子由基本呈平面的苯环和嘌呤环系统组成[两个环系统的最大偏差均为0.010 (4) Å],二者形成的二面角为85.52 (9)°。分子间N-H⋯N氢键将相邻分子连接成中心对称的二聚体。该结构还包含分子间C-H⋯O和C-H⋯N相互作用。苯环形成了交错的面对面π-π堆积相互作用,面间距为3.541 (4) Å,质心间距为4.022 (4) Å。