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2-(7-甲氧基-1-萘基)乙腈

2-(7-Meth-oxy-1-naphth-yl)acetonitrile.

作者信息

Wei Wen-Bin, Jia Ru, Sun Jie, Wang Hai-Bo

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 30;66(Pt 7):o1868. doi: 10.1107/S1600536810024372.

Abstract

The mol-ecule of the title compound, C(13)H(11)NO, is almost planar (r.m.s. deviation = 0.013 Å), apart from the cyanide group, for which the C and N atoms deviate from the mean plane of the other atoms by 0.341 (3) and 0.571 (4) Å, respectively. In the crystal, weak aromatic π-π stacking [centroid-centroid distance = 3.758 (3) Å] may help to stabilize the structure.

摘要

标题化合物C(13)H(11)NO的分子几乎呈平面状(均方根偏差 = 0.013 Å),除了氰基外,其C和N原子分别偏离其他原子的平均平面0.341(3) Å和0.571(4) Å。在晶体中,弱的芳香π-π堆积作用[质心-质心距离 = 3.758(3) Å]可能有助于稳定该结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/683b/3006982/a922453cb488/e-66-o1868-fig1.jpg

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