2-Hydroxy-3-(3-oxobutyl)naphthalene-1,4-dione

Acta Crystallogr C. 2006 Dec;62(Pt 12):o671-3. doi: 10.1107/S0108270106042211. Epub 2006 Nov 10.

Abstract

The title compound, C14H12O4, forms crystals which appear monoclinic but are actually twinned triclinic. The asymmetric unit consists of two similar molecules, which differ only in the conformation of the 3-oxobutyl side chain. The molecular conformation is characterized by an intramolecular O-H...O hydrogen bond between the hydroxy group and the adjacent carbonyl O atom. The crystal structure is stabilized by O-H...O hydrogen bonds connecting the molecules into zigzag chains running along the b axis.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography, X-Ray
  • Hydrogen / chemistry*
  • Models, Molecular
  • Molecular Conformation
  • Naphthoquinones / chemistry*
  • Oxygen / chemistry*

Substances

  • 2-hydroxy-3-(3-oxobutyl)naphthalene-1,4-dione
  • Naphthoquinones
  • Hydrogen
  • Oxygen