6-（3,5-二甲氧基-苄基-氨基）-9-（氧杂环庚烷-2-基）-9H-嘌呤
6-(3,5-Dimeth-oxy-benzyl-amino)-9-(oxan-2-yl)-9H-purine.
作者信息
Starha Pavel, Popa Igor, Dvořák Zdeněk, Trávníček Zdeněk
机构信息
Department of Inorganic Chemistry, Faculty of Science, Palacký University, 17. listopadu 12, CZ-771 46 Olomouc, Czech Republic.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 13;69(Pt 4):o533. doi: 10.1107/S1600536813006697. Print 2013 Apr 1.
The mol-ecule of the title compound, C19H23N5O3, contains six-membered pyrimidine and five-membered imidazole rings merged into the essentially planar purine skeleton (r.m.s. deviation = 0.01 Å). In the crystal, pairs of N-H⋯N hydrogen bonds link mol-ecules into inversion dimers. The dimers are linked via C-H⋯O hydrogen bonds, forming double-stranded chains propagating along [001]. These chains are linked via C-H⋯π and parallel slipped π-π inter-actions [centroid-centroid distance = 3.467 (1) Å; slippage 0.519 Å], forming a three-dimensional network.
标题化合物C19H23N5O3的分子包含稠合到基本平面嘌呤骨架（均方根偏差 = 0.01 Å）中的六元嘧啶环和五元咪唑环。在晶体中，N-H⋯N氢键对将分子连接成反演二聚体。这些二聚体通过C-H⋯O氢键相连，形成沿[001]方向延伸的双链链。这些链通过C-H⋯π和平行滑移π-π相互作用相连[质心-质心距离 = 3.467 (1) Å；滑移0.519 Å]，形成三维网络。
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