title: 2-Hydroxy-3-(3-oxobutyl)naphthalene-1,4-dione.
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.
authors.affiliation: Institute of Organic Chemistry and Chemical Biology, Center for Biomolecular Magnetic Resonance, J W Goethe-Universität Frankfurt, Max-von-Laue-Strasse 7, 60438 Frankfurt/Main, Germany.
authors.forename: Hamid Reza
authors.initials: HR
authors.lastname: Nasiri
authors.forename: M Gregor
authors.initials: MG
authors.lastname: Madej
authors.forename: C Roy D
authors.initials: CR
authors.lastname: Lancaster
authors.forename: Harald
authors.initials: H
authors.lastname: Schwalbe
authors.forename: Michael
authors.initials: M
authors.lastname: Bolte
mesh_terms: D018360:Crystallography, X-Ray; D006859:Hydrogen / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D009285:Naphthoquinones / Q000737:chemistry*; D010100:Oxygen / Q000737:chemistry*
chemical_list: C517993:2-hydroxy-3-(3-oxobutyl)naphthalene-1,4-dione; D009285:Naphthoquinones; D006859:Hydrogen; D010100:Oxygen