title: Crystal structure and hydrogen bonding study of (10E)-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione 10-oxime derived from α-lapachone.
abstract: The compound (10E)-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione-10-oxime (1) was synthesized from a-lapachone and hydroxylamine chloride in alkaline medium. Single-crystals suitable for X-ray diffraction measurements were grown from an ethanol solution, and the crystal structure of the title molecule is reported for the first time. The title molecule was also characterized by ¹H- and ¹³C-NMR in CDCl₃ solution, FTIR and MS. The crystal structure of 1 shows an E stereochemistry and dimers formed through classical hydrogen bonds.
authors.affiliation: Departamento de Química, Universidade Federal Rural do Rio de Janeiro, BR 465, Km 47, Seropédica, RJ 23890-000, Brazil.
authors.forename: Andrea R
authors.initials: AR
authors.lastname: da Silva
authors.forename: Marcelo H
authors.initials: MH
authors.lastname: Herbst
authors.forename: Aurelio B B
authors.initials: AB
authors.lastname: Ferreira
authors.forename: Ari M
authors.initials: AM
authors.lastname: da Silva
authors.forename: Lorenzo C
authors.initials: LC
authors.lastname: Visentin
mesh_terms: D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D015394:Molecular Structure; D009285:Naphthoquinones / Q000737:chemistry*; D019906:Nuclear Magnetic Resonance, Biomolecular; D010091:Oximes / Q000138:chemical synthesis* / Q000737:chemistry*; D014961:X-Ray Diffraction
chemical_list: D009285:Naphthoquinones; D010091:Oximes; C415043:alpha-lapachone