1:1 crystal complexes of 2′,6′-dimethoxyflavone with trichloroacetic and chloroacetic acids.: Correlation between pKa values and x-ray hydrogen bond data

被引：0

作者：

Espinosa, E

Molins, E

Miravitlles, C

Wallet, JC

机构：

[1] Fac Sci & Tech St Jerome, Lab Phytochim, F-13397 Marseille 20, France

[2] CSIC, Inst Ciencia Mat Barcelona, Cerdanyola Del Valles 08193, Spain

来源：

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY | 1999年 / 12卷 / 06期

关键词：

2; 6 '-dimethoxyflavone-trichloroacetic acid complex; 6 '-dimethoxyflavone-chloroacetic acid; complex; crystal structure; pK(a) values; hydrogen bond;

D O I：

暂无

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The structures of two solid inclusion compounds with the 2',6'-dimethoxyflavone host molecule (1) were investigated by single-crystal x-ray analysis. Both compounds, 1 trichloroacetic acid (1:1) and 1 chloroacetic acid (1:1) crystallize in non-centrosymmetric groups Pna2(1) and P2(1)2(1)2(1), respectively. The complexation involves an intermolecular hydrogen bond between the oxygen of the carbonyl group of the flavone and the acidic hydrogen of the substituted acetic acid. The results were used to improve a previous relationship between O ... O distances and pK(a) values. Copyright (C) 1999 John Wiley & Sons, Ltd.

引用

页码：499 / 502

页数：4

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