title: 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid.
abstract: The 4-(acetylamino)-3-hydroxy-5-nitrobenzoic acid molecule, C9H8N2O6, a designed inhibitor for the influenza virus neuraminidase protein, crystallizes as hydrogen-bonded dimers. The dihedral angles of the substituent groups with respect to the planar phenyl moiety are 5.0 (3) degrees for the carboxyl group, 45.0 (2) degrees for the nitro group and 37.3 (1) degrees for the acetylamino substituent. The crystal structure is stabilized by intermolecular hydrogen bonding.
authors.affiliation: Department of Microbiology, University of Alabama at Birmingham 35294, USA.
authors.forename: M J
authors.initials: MJ
authors.lastname: Jedrzejas
authors.forename: M
authors.initials: M
authors.lastname: Luo
authors.forename: S
authors.initials: S
authors.lastname: Singh
authors.forename: W J
authors.initials: WJ
authors.lastname: Brouillette
authors.forename: G M
authors.initials: GM
authors.lastname: Air
mesh_terms: D000998:Antiviral Agents / Q000737:chemistry*; D003460:Crystallization; D018360:Crystallography, X-Ray; D004791:Enzyme Inhibitors / Q000737:chemistry*; D006860:Hydrogen Bonding; D008958:Models, Molecular; D015394:Molecular Structure; D009439:Neuraminidase / Q000037:antagonists & inhibitors*; D009579:Nitrobenzoates / Q000737:chemistry*; D009975:Orthomyxoviridae / Q000201:enzymology*
chemical_list: D000998:Antiviral Agents; C092487:BANA 105; D004791:Enzyme Inhibitors; D009579:Nitrobenzoates; D009439:Neuraminidase