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4-（1-金刚烷基甲基）-N-（2-氯-9-异丙基-9H-嘌呤-6-基）苯胺

4-(1-Adamantylmeth-yl)-N-(2-chloro-9-isopropyl-9H-purin-6-yl)aniline.

作者信息

Rouchal Michal, Nečas Marek, Vícha Robert

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 24;65(Pt 7):o1676. doi: 10.1107/S1600536809023629.

DOI:10.1107/S1600536809023629
PMID:21582935
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969425/
Abstract

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.

摘要

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e2a/2969425/226f936ad6a5/e-65-o1676-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e2a/2969425/226f936ad6a5/e-65-o1676-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e2a/2969425/226f936ad6a5/e-65-o1676-fig1.jpg

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