首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >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
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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

机译:3-(4-羟基--3-甲基-氧基-苯基)(4-羟基--2-氧-2-氧-2H-铬-3-基)甲基 -2-氧-2H-铬-4-油酸酯的三乙基铵盐的晶体结构

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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+·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) Å. 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.
机译:3,3'-[(3-甲氧基-4-羟基苯基)甲烷二基]双(4-羟基-2H-铬-2--2-)与三乙胺在甲醇中的反应得到标题化合物三乙铵3-[(4-羟基) -3-甲氧基苯基)(4-羟基-2-氧代-2-H-铬-3-基)甲基] -2-氧代-2H-铬-4-醇酸酯,C6H16N + ·C26H17O8 -或(NHEt3) + (C26H17O8)-,它们直接从其甲醇母液中结晶。非去质子化的香豆酚取代基在短的负电荷辅助氢键中与去质子化的香豆酸酯取代基共享其H原子,其中自由精制的H原子从其母体O原子移向受体O原子,从而延长了共价O-H结合到1.18(3)Å。因此,可以将各个H原子描述为被两个醇O原子共享,最终形成八元环。

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