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2-氯-N-乙基-9-异丙基-9H-嘌呤-6-胺

2-Chloro-N-ethyl-9-isopropyl-9H-purin-6-amine.

作者信息

Giovagnoli Federico Andrés, Rouchal Michal, Bartoš Peter, Vícha Robert

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2759. doi: 10.1107/S1600536812035933. Epub 2012 Aug 23.

DOI:10.1107/S1600536812035933
PMID:22969640
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435794/
Abstract

In the title compound, C(10)H(14)ClN(5), the purine ring system is essentially planar, with an r.m.s. deviation from the least-squares plane defined by the nine constituent atoms of 0.0063 (11) Å. In the crystal, mol-ecules are linked by weak N-H⋯N and C-H⋯π inter-actions.

摘要

在标题化合物C(10)H(14)ClN(5)中，嘌呤环系基本呈平面状，其相对于由九个组成原子定义的最小二乘平面的均方根偏差为0.0063 (11) Å。在晶体中，分子通过弱的N-H⋯N和C-H⋯π相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9eb2/3435794/9f295f201bf0/e-68-o2759-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9eb2/3435794/f540b9da7ec4/e-68-o2759-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9eb2/3435794/9f295f201bf0/e-68-o2759-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9eb2/3435794/f540b9da7ec4/e-68-o2759-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9eb2/3435794/9f295f201bf0/e-68-o2759-fig2.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2009 May 14;65(Pt 6):o1268. doi: 10.1107/S1600536809016596.
2
2-(1-Adamant-yl)-1-{4-[(2-chloro-9-isopropyl-9H-purin-6-yl)amino-meth-yl]phen-yl}ethanone.2-（1-金刚烷基）-1-{4-[(2-氯-9-异丙基-9H-嘌呤-6-基)氨基甲基]苯基}乙酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 14;65(Pt 2):o298-9. doi: 10.1107/S160053680900052X.
3
2-Chloro-9-isopropyl-N,N-dimethyl-9H-purin-6-amine.
2-氯-9-异丙基-N,N-二甲基-9H-嘌呤-6-胺
Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 2;66(Pt 5):o1016. doi: 10.1107/S1600536810011797.
4
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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