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8-Acetyl-4-methyl-2-oxo-2H-chromen-7-yl acetate.

ABSTRACT: In the title compound, C(14)H(12)O(5), the benzopyran-2-one ring system is approximately planar [maximum deviation = 0.018?(1)?Å]; the mean plane is oriented at dihedral angles of 52.26?(11) and 72.92?(7)°, respectively, to the acetyl and acet-oxy groups. In the crystal, ?-? stacking is observed between parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.6774?(17)?Å. Inter-molecular weak C-H?O hydrogen bonding, and C=O?C=O [O?C = 3.058?(3)?Å] and C=O?? [O?centroid = 3.328?(2)?Å] inter-actions occur in the crystal structure.

SUBMITTER: Yang SP 

PROVIDER: S-EPMC3239025 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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8-Acetyl-4-methyl-2-oxo-2H-chromen-7-yl acetate.

Yang Shu-Ping SP   Han Li-Jun LJ   He Xin-Ran XR   Chen Li-Juan LJ  

Acta crystallographica. Section E, Structure reports online 20111119 Pt 12

In the title compound, C(14)H(12)O(5), the benzopyran-2-one ring system is approximately planar [maximum deviation = 0.018 (1) Å]; the mean plane is oriented at dihedral angles of 52.26 (11) and 72.92 (7)°, respectively, to the acetyl and acet-oxy groups. In the crystal, π-π stacking is observed between parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.6774 (17) Å. Inter-molecular weak C-H⋯O hydrogen bonding, and C=O⋯C=O [O⋯C = 3.058 (3) Å] and C=O⋯π [O⋯centro  ...[more]

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