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4-(蒽-9-基)吡啶的晶体结构

Crystal structure of 4-(anthracen-9-yl)pyridine.

作者信息

Zhao Meng, Zhang Gang, Zhang Jingmiao, Huang Shan, Liu Xiuxia, Li Fei

机构信息

Department of Nuclear Medicine, the Second Hospital of Anhui Medical University, Hefei 230601, People's Republic of China.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 May 11;77(Pt 6):605-608. doi: 10.1107/S2056989021004710. eCollection 2021 Jun 1.

DOI:10.1107/S2056989021004710
PMID:34164136
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8183450/
Abstract

The title compound, CHN, which crystallizes in the monoclinic 2/ space group with one half-mol-ecule in the asymmetric unit, was synthesized by Suzuki-Miyaura cross-coupling reaction of 9-bromo-anthracene with pyridin-4-ylboronic acid and purified by column chromatography on silica gel. Light-yellow crystals of 4-(anthracen-9-yl)-pyridine suitable for X-ray diffraction were collected by the solvent evaporation method. In the crystal, pairs of mol-ecules are connected by inter-molecular C-H⋯π (pyridine) inter-actions [(H7⋯) = 2.7391 (2) Å], forming cyclic centrosymmetric dimers, further resulting in an infinite one-dimensional linear chain along the -axis direction. Weak face-to-face π-π stacking inter-actions [(⋯) = 3.6061 (2) Å] link neighboring lamellar networks into the supra-molecular structure.

摘要

标题化合物CHN以单斜2/空间群结晶,不对称单元中有半个分子,通过9-溴蒽与吡啶-4-硼酸的铃木-宫浦交叉偶联反应合成,并通过硅胶柱色谱法纯化。通过溶剂蒸发法收集了适合X射线衍射的4-(蒽-9-基)吡啶浅黄色晶体。在晶体中,分子对通过分子间C-H⋯π(吡啶)相互作用[(H7⋯)= 2.7391 (2) Å]相连,形成环状中心对称二聚体,进而沿轴方向形成无限的一维线性链。弱的面对面π-π堆积相互作用[(⋯)= 3.6061 (2) Å]将相邻的层状网络连接成超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f64/8183450/cfb983aadf01/e-77-00605-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f64/8183450/c88ebc0cd963/e-77-00605-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f64/8183450/f79e5fdbd1dd/e-77-00605-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f64/8183450/f533d7a66daf/e-77-00605-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f64/8183450/67db07a71b7b/e-77-00605-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f64/8183450/9f3ef0a1e686/e-77-00605-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f64/8183450/cfb983aadf01/e-77-00605-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f64/8183450/c88ebc0cd963/e-77-00605-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f64/8183450/f79e5fdbd1dd/e-77-00605-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f64/8183450/f533d7a66daf/e-77-00605-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f64/8183450/67db07a71b7b/e-77-00605-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f64/8183450/9f3ef0a1e686/e-77-00605-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f64/8183450/cfb983aadf01/e-77-00605-fig6.jpg

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