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(E)-5-苄氧基-2-{[(4-硝基苯基)亚氨基]甲基}苯酚的晶体结构

Crystal structure of (E)-5-benz-yloxy-2-{[(4-nitro-phen-yl)imino]-meth-yl}phenol.

作者信息

Ghichi Nadir, Benaouida Mohamed Amine, Benboudiaf Ali, Merazig Hocine

机构信息

Unité de Recherche de Chimie de l'Environnement et Moléculaire Structurale (CHEMS), Faculté des Sciences Exactes, Département de Chimie, Université Constantine 1, Algeria.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Nov 28;71(Pt 12):o1000-1. doi: 10.1107/S2056989015022173. eCollection 2015 Dec 1.

DOI:10.1107/S2056989015022173
PMID:26870463
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4719944/
Abstract

In the title compound, C20H16N2O4, the mol-ecule adopts an E conformation about the N=C bond. There is an intra-molecular O-H⋯N hydrogen bond forming an S(6) ring motif. The nitro-benzene and benz-yloxy rings are inclined to the central benzene ring by 4.34 (10) and 27.66 (11)°, respectively, and to one another by 31.40 (12)°. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming zigzag chains along [001]. Within the chains there are C-H⋯π inter-actions present. The chains are linked via π-π inter-actions [inter-centroid distance = 3.7048 (15) Å], forming slabs parallel to the bc plane.

摘要

在标题化合物C₂₀H₁₆N₂O₄中,分子围绕N=C键采取E构象。存在一个分子内O-H⋯N氢键,形成一个S(6)环模式。硝基苯环和苄氧基环分别相对于中心苯环倾斜4.34 (10)°和27.66 (11)°,且它们彼此之间倾斜31.40 (12)°。在晶体中,分子通过C-H⋯O氢键相连,沿[001]方向形成锯齿链。在这些链中存在C-H⋯π相互作用。这些链通过π-π相互作用相连[质心间距 = 3.7048 (15) Å],形成平行于bc平面的层板。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edbb/4719944/e8a58a5a84a7/e-71-o1000-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edbb/4719944/61f3294708cf/e-71-o1000-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edbb/4719944/e8a58a5a84a7/e-71-o1000-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edbb/4719944/61f3294708cf/e-71-o1000-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edbb/4719944/e8a58a5a84a7/e-71-o1000-fig2.jpg

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引用本文的文献

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