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6,6'-二乙氧基-2,2'-[2,2-二甲基丙烷-1,3-二亚基双(亚氨次甲基)]二苯酚。

6,6'-Diethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenol.

作者信息

Fun Hoong-Kun, Kargar Hadi, Kia Reza, Jamshidvand Arezoo

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 6;65(Pt 4):o707-8. doi: 10.1107/S1600536809007557.

DOI:10.1107/S1600536809007557
PMID:21582445
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969095/
Abstract

In the crystal structure, the title Schiff base compound, C(23)H(30)N(2)O(4), exhibits crystallographic twofold rotation symmetry. The imino group is coplanar with the aromatic ring with an N-C-C-C torsion angle of -179.72 (9)°. An intra-molecular O-H⋯N hydrogen bond forms a six-membered ring, producing an S(6) ring motif. The dihedral angle between symmetry related benzene rings is 28.05 (5)°. The eth-oxy group makes a C-O-C-C torsion angle of -7.20 (16)° with the benzene ring. The crystal structure is stabilized by inter-molecular C-H⋯π inter-actions.

摘要

在晶体结构中,标题席夫碱化合物C(23)H(30)N(2)O(4)呈现出晶体学二重旋转对称性。亚氨基与芳环共面,N-C-C-C扭转角为-179.72 (9)°。分子内O-H⋯N氢键形成一个六元环,产生S(6)环 motif。对称相关苯环之间的二面角为28.05 (5)°。乙氧基与苯环的C-O-C-C扭转角为-7.20 (16)°。晶体结构通过分子间C-H⋯π相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/80e0/2969095/386d8cd1a3ab/e-65-0o707-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/80e0/2969095/386d8cd1a3ab/e-65-0o707-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/80e0/2969095/386d8cd1a3ab/e-65-0o707-fig1.jpg

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本文引用的文献

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Structure validation in chemical crystallography.化学晶体学中的结构验证
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