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

✍ Scribed by E. Espinosa; E. Molins; C. Miravitlles; J.-C. Wallet

Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
69 KB
Volume
12
Category
Article
ISSN
0894-3230

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✦ Synopsis

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 Á trichloroacetic acid (1:1) and 1 Á 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 OÁ Á ÁO distances and pK a values.

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