Ethyl 2-[(2-oxo-2 H -chromen-6-yl)-oxy]acetate

Ethyl 2-[(2-oxo-2 -chromen-6-yl)-oxy]acetate, C H O , a member of the pharmacologically important class of coumarins, crystallizes in the monoclinic 2/ space group in the form of sheets, within which mol-ecules are related by inversion centers and 2 axes. Multiple C-H⋯O weak hydrogen-bonding inter-a...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2024-06, Vol.80 (Pt 6), p.659-662
Main Authors: Goyal, Navneet, Donahue, James P, Thompson, Anthony, Zhang, Xiaodong, Mague, Joel T, Foroozesh, Maryam
Format: Article
Language:English
Subjects:
chromen-2-one
coumarin
crystal structure
Research Communications
sheet structure
weak c—h...o h-bonding
π–π stacking
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Summary:Ethyl 2-[(2-oxo-2 -chromen-6-yl)-oxy]acetate, C H O , a member of the pharmacologically important class of coumarins, crystallizes in the monoclinic 2/ space group in the form of sheets, within which mol-ecules are related by inversion centers and 2 axes. Multiple C-H⋯O weak hydrogen-bonding inter-actions reinforce this pattern. The planes of these sheets are oriented in the approximate direction of the face diagonal. Inter-sheet inter-actions are a combination of coumarin system π-π stacking and additional C-H⋯O weak hydrogen bonds between ethyl acet-oxy groups.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989024004729