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2,2'-[1,1'-(丙烷-1,3-二氧基-二腈基)二亚乙基]二-1-萘酚。

2,2'-[1,1'-(Propane-1,3-diyldioxy-dinitrilo)diethyl-idyne]di-1-naphthol.

作者信息

Dong Wen-Kui, Wu Jian-Chao, Sun Yin-Xia, Li Li, Yao Jian

机构信息

School of Chemical and Biological Engineering, Lanzhou Jiaotong University, Lanzhou 730070, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 20;65(Pt 7):o1657. doi: 10.1107/S1600536809023241.

DOI:10.1107/S1600536809023241
PMID:21582919
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969260/
Abstract

The mol-ecule of the title compound, C(27)H(26)N(2)O(4), lies across a crystallographic inversion centre and adopts an l-shaped configuration. Within the mol-ecule, the two naphthalene units are approximately perpendicular, making a dihedral angle of 80.24 (5)°. The two intramolecular O-H⋯N hydrogen bonds, generate S(6) ring motifs. In the crystal structure, every mol-ecule links five other mol-ecules into an infinite cross-linked layered supra-molecular structure via inter-molecular C-H⋯O hydrogen bonds, C-H⋯π inter-actions and π-π stacking inter-actions [centroid-centroid distance = 3.956 (4) Å].

摘要

标题化合物C(27)H(26)N(2)O(4)的分子位于一个晶体学反演中心上,并采用L形构型。在分子内,两个萘单元近似垂直,二面角为80.24 (5)°。两个分子内O-H⋯N氢键形成了S(6)环模式。在晶体结构中,每个分子通过分子间C-H⋯O氢键、C-H⋯π相互作用和π-π堆积相互作用[质心-质心距离 = 3.956 (4) Å]与另外五个分子相连,形成一个无限交联的层状超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90d6/2969260/538411de2eba/e-65-o1657-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90d6/2969260/1b468661ff88/e-65-o1657-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90d6/2969260/538411de2eba/e-65-o1657-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90d6/2969260/1b468661ff88/e-65-o1657-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90d6/2969260/538411de2eba/e-65-o1657-fig2.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2008 May 17;64(Pt 6):o1098. doi: 10.1107/S1600536808012701.
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6,6'-Dihydr-oxy-2,2'-[(propane-1,3-diyl-dioxy)bis-(nitrilo-methyl-idyne)]diphenol.6,6'-二羟基-2,2'-[(丙烷-1,3-二氧基双(亚氨甲基亚基)]二苯酚。
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A short history of SHELX.SHELX简史。
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