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2-甲氧基-亚氨基-2-{2-[(2-甲基苯氧基)甲基]苯基}乙醇

2-Meth-oxy-imino-2-{2-[(2-methyl-phen-oxy)meth-yl]phen-yl}ethanol.

作者信息

Kant Rajni, Gupta Vivek K, Kapoor Kamini, Shripanavar Chetan S, Banerjee Kaushik

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2697. doi: 10.1107/S160053681203499X. Epub 2012 Aug 11.

DOI:10.1107/S160053681203499X
PMID:22969588
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435717/
Abstract

In the title compound, C(17)H(19)NO(3), the dihedral angle between the benzene rings is 68.0 (1)°. The C-O-C-C torsion angle of the atoms joining these rings is 179.7 (2)°. The atoms of the methanol group were refined as disordered over two sets of sites with fixed occupancies of 0.86 and 0.14. The H atoms of the hy-droxy group in the major component are disordered over a further two sets of sites with equal occupancies. This is a necessary arrangement to allow for hydrogen bonding without unrealistic H⋯H contacts. In the crystal, O-H⋯N and O-H⋯O hydrogen bonds connect mol-ecules into chains along [001].

摘要

在标题化合物C(17)H(19)NO(3)中,苯环之间的二面角为68.0 (1)°。连接这些环的原子的C-O-C-C扭转角为179.7 (2)°。甲醇基团的原子在两组位置上无序排列,固定占有率分别为0.86和0.14。主要组分中羟基的H原子在另外两组占有率相等的位置上无序排列。这是一种必要的排列方式,以允许形成氢键而不会出现不切实际的H⋯H接触。在晶体中,O-H⋯N和O-H⋯O氢键将分子沿[001]连接成链。

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本文引用的文献

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