单斜晶系
氢键
堆积
分子
香豆素
乙酸乙酯
化学
结晶学
立体化学
药物化学
有机化学
作者
Navneet Goyal,James P. Donahue,Anthony Thompson,Xiaodong Zhang,Joel T. Mague,Maryam Foroozesh
标识
DOI:10.1107/s2056989024004729
摘要
Ethyl 2-[(2-oxo-2 H -chromen-6-yl)oxy]acetate, C 13 H 12 O 5 , a member of the pharmacologically important class of coumarins, crystallizes in the monoclinic C 2/ c space group in the form of sheets, within which molecules are related by inversion centers and 2 1 axes. Multiple C—H...O weak hydrogen-bonding interactions reinforce this pattern. The planes of these sheets are oriented in the approximate direction of the ac face diagonal. Intersheet interactions are a combination of coumarin system π–π stacking and additional C—H...O weak hydrogen bonds between ethyl acetoxy groups.
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