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Ethyl 2-[2-(4-oxo-4H-chromen-2-yl)phenoxy]acetate.

ABSTRACT: In the title flavonoid derivative, C19H16O5, the chromene portion is planar (r.m.s. deviation = 0.022 Å) with the substituents lying closely to the same plane. The dihedral angle between its mean plane and that of the benzene ring is 4.9 (1)°. This planarity is due, in part, to the presence of a strong intramolecular C-H?O hydrogen bond and to two weak C-H?O contacts. In the crystal, neighboring molecules are linked by a C-H?O hydrogen bond and a C-H?? interaction, forming chains along the a-axis direction.

SUBMITTER: Goyal N

PROVIDER: S-EPMC6457468 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature

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Ethyl 2-[2-(4-oxo-4H-chromen-2-yl)phenoxy]acetate.

Goyal Navneet N Do Camilla C Donahue James P JP Mague Joel T JT Foroozesh Maryam M

IUCrData 20180701 7

In the title flavonoid derivative, C19H16O5, the chromene portion is planar (r.m.s. deviation = 0.022 Å) with the substituents lying closely to the same plane. The dihedral angle between its mean plane and that of the benzene ring is 4.9 (1)°. This planarity is due, in part, to the presence of a strong intramolecular C-H⋯O hydrogen bond and to two weak C-H⋯O contacts. In the crystal, neighboring molecules are linked by a C-H⋯O hydrogen bond and a C-H⋯π int ...[more]

PMID: 30984887

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