Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 7 (July 2012)

organic compounds

bt5941 scheme

Acta Cryst. (2012). E68, o2216 [ doi:10.1107/S1600536812027699 ]

5,6-Dimethyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene-3,8-dione

S. K. Goswami, L. R. Hanton, C. J. McAdam, S. C. Moratti and J. Simpson

Abstract: The title molecule, C₁₄H₁₄O₄, lies on a twofold rotation axis that bisects the central benzene ring, with only one half-molecule in the asymmetric unit. The pyranone systems adopt distorted twist- boat conformations, with the two methylene C atoms displaced by 0.537 (1) and 0.163 (2) Å from the best-fit plane through the remaining five C and O atoms (r.m.s. deviation = 0.073 Å). In the crystal, bifurcated C-H(O,O) hydrogen bonds link pairs of adjacent molecules in an obverse fashion, stacking molecules along c. These contacts are further stabilized by very weak [pi] - [pi] interactions between adjacent benzene rings with centroid-centroid distances of 4.1951 (4) Å. Additional C-HO contacts link these stacks, giving a three-dimensional network.


	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S1600536812027699/bt5941sup0.html ] Supplementary materials

	Chemical Markup Language (CML) file (5.1 kbytes) [ doi:10.1107/S1600536812027699/bt5941Isup3.cml ] Supplementary material

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Search: From to Advanced search