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

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2018年 / 74卷

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

页码：282 / +

页数：12

共 22 条

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