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dc.contributor.authorNieto, Carla I.-
dc.contributor.authorGarcía, M. Ángeles-
dc.contributor.authorFarrán, M. Ángeles-
dc.contributor.authorClaramunt, Rosa M.-
dc.contributor.authorTorres, M. Rosario-
dc.contributor.authorAlkorta, Ibon-
dc.contributor.authorElguero, José-
dc.date.accessioned2012-12-04T11:37:07Z-
dc.date.available2012-12-04T11:37:07Z-
dc.date.issued2012-
dc.identifierdoi: 10.1016/j.molstruc.2011.11.029-
dc.identifierissn: 0022-2860-
dc.identifier.citationJournal of Molecular Structure 1008 : 88- 94 (2012)-
dc.identifier.urihttp://hdl.handle.net/10261/61884-
dc.description.abstractExperimental (NMR, X-ray and DSC) and theoretical studies [DFT B3LYP/6-311++G (d,p)] have permitted to establish the structure of the main tautomeric form of 8-hydroxycarbostyril 1. In the gas phase two tautomers, 8-hydroxyquinolin-2(1H)-one 1a and 2,8-quinolinediol 1d, show similar stabilities. In solid state two polymorphs of 1a have been isolated and their structures elucidated, polymorph A which crystallizes in Pccn orthorhombic space group and polymorph B in the P2 1/c monoclinic space group. The arrangement of molecules in both structures is characterized by intermolecular N-H⋯O and O-H⋯O hydrogen bonds. Â-
dc.language.isoeng-
dc.publisherElsevier-
dc.rightsclosedAccess-
dc.titleTwo polymorphs of 8-hydroxycarbostyril: X-ray crystallography, solid-state NMR and DFT calculations-
dc.typeartículo-
dc.identifier.doihttp://dx.doi.org/10.1016/j.molstruc.2011.11.029-
dc.date.updated2012-12-04T11:37:07Z-
dc.description.versionPeer Reviewed-
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