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3-[(1-溴萘-2-基)甲氧基]-5,5-二甲基环己-2-烯酮

3-[(1-Bromo-naphthalen-2-yl)meth-oxy]-5,5-di-methyl-cyclo-hex-2-enone.

作者信息

Fang Liang-Liang, Liu Nan, Zhang Xin-Ying

机构信息

School of Chemistry and Chemical Engineering, Henan Normal University, Henan 453007, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 20;69(Pt 5):o758. doi: 10.1107/S160053681301026X. Print 2013 May 1.

DOI:10.1107/S160053681301026X
PMID:23723904
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3648284/
Abstract

In the title compound, C19H19BrO2, the cyclo-hexenone ring adopts an envelope conformation with the C atom bearing the methyl substituents as the flap. In the crystal, weak π-π stacking is observed between parallel aromatic rings of adjacent mol-ecules, the centroid-centroid distance being 3.694 (6) Å. The entire bromonaphthylmethyl unit is disordered over two orientations, with a site-occupancy ratio of 0.5214 (19):0.4786 (19).

摘要

在标题化合物C₁₉H₁₉BrO₂中，环己烯酮环呈信封式构象，带有甲基取代基的C原子作为折边。在晶体中，观察到相邻分子的平行芳香环之间存在弱π-π堆积，质心间距为3.694(6) Å。整个溴萘基甲基单元在两个取向上无序，占有率之比为0.5214(19):0.4786(19)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6620/3648284/f1d40d2c6344/e-69-0o758-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6620/3648284/c5433e0bac52/e-69-0o758-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6620/3648284/527936db731b/e-69-0o758-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6620/3648284/f1d40d2c6344/e-69-0o758-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6620/3648284/c5433e0bac52/e-69-0o758-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6620/3648284/527936db731b/e-69-0o758-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6620/3648284/f1d40d2c6344/e-69-0o758-fig3.jpg

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