3-(3-Oxo-1,3-dihydroisobenzofuran-1-ylidene)pentane-2,4-dione

Acta Crystallogr C. 2007 Jun;63(Pt 6):o332-3. doi: 10.1107/S0108270107017866. Epub 2007 May 11.

Abstract

In the title compound, C(13)H(10)O(4), prepared by the condensation reaction between phthalic anhydride and pentane-2,4-dione, one of the acetyl groups in the pentane-2,4-dione fragment is almost coplanar with the isobenzofuran ring system, while the other group is twisted out of this plane by almost 80 degrees . The corresponding C-C and C-O distances in the two acetyl units are consistent with dipolar delocalization into the coplanar unit only. There is no supramolecular aggregation of the molecules, but a number of rather short intermolecular contacts of C-H...O, O...O and O...C types occur.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Benzofurans / chemical synthesis
  • Benzofurans / chemistry*
  • Crystallography, X-Ray
  • Molecular Conformation
  • Pentanones / chemical synthesis
  • Pentanones / chemistry*

Substances

  • 3-(3-oxo-1,3-dihydroisobenzofuran-1-ylidene)pentane-2,4-dione
  • Benzofurans
  • Pentanones