Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2011 Dec 1;67(Pt 12):o3382.
doi: 10.1107/S1600536811048835. Epub 2011 Nov 19.

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

Shu-Ping Yang, Li-Jun Han, Xin-Ran He, Li-Juan Chen

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

Shu-Ping Yang et al. Acta Crystallogr Sect E Struct Rep Online. .

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, 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⋯centroid = 3.328 (2) Å] inter-actions occur in the crystal structure.

PubMed Disclaimer

Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound, showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
See this image and copyright information in PMC

References

    1. Brandenburg, K. & Berndt, M. (1999). DIAMOND Crystal Impact GbR, Bonn, Germany
    1. Bruker (2001). SADABS Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Bruker (2007). APEX2 and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. - PubMed
    1. Yang, S.-P., Han, L.-J., Wang, D.-Q. & Chen, X.-Y. (2010). Acta Cryst. E66, o3183. - PMC - PubMed