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(8-苯甲酰基-2,7-二甲氧基-萘-1-基)(4-苯氧基苯基)甲酮

(8-Benzoyl-2,7-dimeth-oxy-naphthalen-1-yl)(4-phen-oxy-phen-yl)methanone.

作者信息

Sasagawa Kosuke, Sakamoto Rei, Takeuchi Ryo, Yonezawa Noriyuki, Okamoto Akiko

机构信息

Department of Organic and Polymer Materials Chemistry, Tokyo University of Agriculture & Technology, Koganei, Tokyo 184-8588, Japan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o395-6. doi: 10.1107/S1600536813004303. Epub 2013 Feb 20.

DOI:10.1107/S1600536813004303
PMID:23476579
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3588546/
Abstract

In the mol-ecule of the title compound, C32H24O5, the benzoyl group and the 4-phenoxy substituted benzoyl group at the 1- and 8-positions of the naphthalene ring system are aligned almost anti-parallel. The two benzene rings make a dihedral angle of 21.18 (10)°, and are inclined to the naphthalene ring system by 86.53 (9) and 82.95 (8)°, respectively. In the crystal, C-H⋯O inter-actions are observed involving aromatic and meth-oxy H atoms with ketonic carbonyl O atoms, as well as C-H⋯π inter-actions between aromatic H atoms and the π-systems of naphthalene and benzene rings. These interactions form a three-dimensional architecture and afford a waved alignment of the naphthalene ring systems along the c axis.

摘要

在标题化合物C₃₂H₂₄O₅的分子中,萘环体系1位和8位的苯甲酰基和4-苯氧基取代苯甲酰基几乎呈反平行排列。两个苯环形成的二面角为21.18 (10)°,且分别与萘环体系呈86.53 (9)°和82.95 (8)°的倾斜度。在晶体中,观察到C-H⋯O相互作用,涉及芳香族和甲氧基H原子与酮羰基O原子,以及芳香族H原子与萘环和苯环的π体系之间的C-H⋯π相互作用。这些相互作用形成三维结构,并使萘环体系沿c轴呈波浪状排列。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8905/3588546/9bb593780384/e-69-0o395-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8905/3588546/9e22786838b7/e-69-0o395-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8905/3588546/c76b28487b12/e-69-0o395-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8905/3588546/8ce94ac87710/e-69-0o395-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8905/3588546/9bb593780384/e-69-0o395-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8905/3588546/9e22786838b7/e-69-0o395-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8905/3588546/c76b28487b12/e-69-0o395-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8905/3588546/8ce94ac87710/e-69-0o395-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8905/3588546/9bb593780384/e-69-0o395-fig4.jpg

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本文引用的文献

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