Crystal structure of the triethylammonium salt of 3-[(4-hydroxy-3-methoxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-2-oxo-2H-chromen-4-olate

被引:2
|
作者
Ikram, Muhammad [1 ]
Rehman, Sadia [1 ]
Khan, Afzal [2 ]
Schulzke, Carola [3 ]
机构
[1] Abdul Wali Khan Univ Mardan, Dept Chem, Mardan, Pakistan
[2] Abbotabad Univ Sci & Technol, Dept Microbiol, Abbotabad, Pakistan
[3] Ernst Moritz Arndt Univ Greifswald, Inst Biochem, Felix Hausdorff Str 4, D-17487 Greifswald, Germany
基金
欧洲研究理事会;
关键词
crystal structure; 4-hydroxy-3-methoxyphenyl dicoumarol; 4-hydroxycoumarin derivatives; negative charge-assisted hydrogen bonds; short intramolecular hydrogen bonds;
D O I
10.1107/S2056989018001561
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The reaction between 3,3 '-[(3-methoxy-4-hydroxyphenyl)methanediyl]bis(4-hydroxy-2H-chromen-2-one) and triethylamine in methanol yielded the title compound triethylammonium 3-[(4-hydroxy-3-methoxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-2-oxo-2H-chromen-4-olate, C6H16N+center dot C26H17O8- or (NHEt3)(+)(C26H17O8)(-), which crystallized directly from its methanolic mother liquor. The non-deprotonated coumarol substituent shares its H atom with the deprotonated coumarolate substituent in a short negative charge-assisted hydrogen bond in which the freely refined H atom is moved from its parent O atom towards the acceptor O atom, elongating the covalent O-H bond to 1.18 (3)angstrom. The respective H atom can therefore be described as being shared by two alcohol O atoms, culminating in the formation of an eight-membered ring.
引用
收藏
页码:282 / +
页数:12
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