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7,11,15,28-四-[(2-甲酰基苯氧基)甲基]-1,21,23,25-四甲基间苯二酚[4]芳烃穴状配体乙酸乙酯包合物,温度为173K

7,11,15,28-Tetra-kis[(2-formyl-phen-oxy)methyl]-1,21,23,25-tetra-methyl-resorcin[4]arene cavitand ethyl acetate clathrate at 173 K.

作者信息

Mc Kay Michael G, Friedrich Holger B, Howie R Alan, Maguire Glenn E M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 6;65(Pt 4):o692-3. doi: 10.1107/S1600536809007582.

Abstract

The title compound, C(68)H(56)O(16), was synthesized as a novel synthetic inter-mediate towards deeper and more elaborate resorcin[4]arene cavitands. The structure is the first reported example of a resorcin[4]arene cavitand bearing aromatic aldehyde functional groups at the extra-annular rim of the mol-ecule. The 2-formyl-phen-oxy residues are found to assume two different orientations above the mol-ecular cavity. One half of the resorcin[4]arene cavitand mol-ecule appears in the asymmetric unit; the complete resorcin[4]arene cavitand structure was generated across a mirror plane. In addition, a highly disordered ethyl acetate solvent mol-ecule is present within the mol-ecular cavity.

摘要

标题化合物C(68)H(56)O(16)被合成出来,作为一种新型合成中间体,用于制备更深层次、更精细的间苯二酚[4]芳烃穴状配体。该结构是首次报道的在分子外环边缘带有芳香醛官能团的间苯二酚[4]芳烃穴状配体的例子。发现2-甲酰基苯氧基残基在分子腔上方呈现两种不同的取向。间苯二酚[4]芳烃穴状配体分子的一半出现在不对称单元中;完整的间苯二酚[4]芳烃穴状配体结构通过一个镜面生成。此外,分子腔内存在一个高度无序的乙酸乙酯溶剂分子。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9858/2968874/b42abe3c287c/e-65-0o692-fig1.jpg

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