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1-(2-苯基-乙基)金刚烷

1-(2-Phenyl-eth-yl)adamantane.

作者信息

Rouchal Michal, Nečas Marek, Vícha Robert

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 23;66(Pt 7):o1736. doi: 10.1107/S1600536810023251.

DOI:10.1107/S1600536810023251
PMID:21587953
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3007015/
Abstract

In the title compound, C(18)H(24), the adamantane cage consists of three fused cyclo-hexane rings in almost ideal chair conformations, with C-C-C angles in the range 108.0 (14)-111.1 (15)°. The phenyl and 1-adamantyl substituents adopt anti orientations with a C-C-C-C torsion angle of 177.10 (16)°. In the crystal packing, the mol-ecules are linked by weak C-H⋯π inter-actions into chains along the a axis.

摘要

在标题化合物C₁₈H₂₄中,金刚烷笼由三个几乎呈理想椅式构象的稠合环己烷环组成,C-C-C键角在108.0(14)°至111.1(15)°范围内。苯基和1-金刚烷基取代基呈反式取向,C-C-C-C扭转角为177.10(16)°。在晶体堆积中,分子通过弱的C-H⋯π相互作用沿a轴连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d1/3007015/8b19f209b4ed/e-66-o1736-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d1/3007015/618ec8a78223/e-66-o1736-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d1/3007015/8b19f209b4ed/e-66-o1736-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d1/3007015/618ec8a78223/e-66-o1736-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d1/3007015/8b19f209b4ed/e-66-o1736-fig2.jpg

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Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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