Date Published: July 01, 2012
Publisher: International Union of Crystallography
Author(s): Shailesh K. Goswami, Lyall R. Hanton, C. John McAdam, Stephen C. Moratti, Jim Simpson.
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 π–π interactions between adjacent benzene rings with centroid–centroid distances of 4.1951 (4) Å. Additional C—H⋯O contacts link these stacks, giving a three-dimensional network.
For the synthesis, see: Lecea et al. (2010 ▶). For details of the Cambridge Structural Database, see: Allen (2002 ▶) and for related structures, see: Cameron et al. (2011 ▶); Goswami et al. (2011 ▶). For standard bond lengths, see: Allen et al. (1987 ▶).