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Crystal structure determination and thermal behavior upon melting of p-synephrine

hal.structure.identifierUnité de Technologies Chimiques et Biologiques pour la Santé [UTCBS - UM 4 (UMR 8258 / U1022)]
dc.contributor.authorROSA, Frédéric
hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
dc.contributor.authorNÉGRIER, Philippe
hal.structure.identifierUnité de Technologies Chimiques et Biologiques pour la Santé [UTCBS - UM 4 (UMR 8258 / U1022)]
dc.contributor.authorCORVIS, Yohann
hal.structure.identifierUnité de Technologies Chimiques et Biologiques pour la Santé [UTCBS - UM 4 (UMR 8258 / U1022)]
dc.contributor.authorESPEAU, Philippe
dc.date.created2015-09-02
dc.date.issued2016-05-20
dc.identifier.issn0040-6031
dc.description.abstractEnThe crystal structure of p-synephrine was solved from a high-resolution X-ray powder diffraction pattern optimized by energy-minimization calculations using the Dreiding force field. The title compound crystallizes in a monoclinic system (space group P2 1 /c, Z = 4, with a = 8.8504(11) Å, b = 12.1166(15) Å, c = 9.7820(11) Å, ␤ = 122.551(2) • , V = 884.21(19) Å 3 and d = 1.256 g cm −3). Since p-synephrine degrades upon melting, its melting data were determined from DSC experiments carried out as a function of the heating rate. This method allowed determining a melting temperature and enthalpy equal to 199.8 ± 1.3 • C and 57 ± 3 kJ mol −1 , respectively.
dc.description.sponsorshipAnalyse de contrefaçons pharmaceutiques par technologie térahertz - ANR-12-SECU-0007
dc.language.isoen
dc.publisherElsevier
dc.rights.urihttp://creativecommons.org/licenses/by-sa/
dc.subject.enEnantiomer
dc.subject.enX-ray powder diffraction
dc.subject.enCrystal structure
dc.subject.enThermal analysis
dc.subject.enMelting point
dc.title.enCrystal structure determination and thermal behavior upon melting of p-synephrine
dc.typeArticle de revue
dc.identifier.doi10.1016/j.tca.2016.03.010
dc.subject.halChimie/Cristallographie
bordeaux.journalThermochimica Acta
bordeaux.page18-22
bordeaux.volume632
bordeaux.peerReviewedoui
hal.identifierhal-01344306
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-01344306v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Thermochimica%20Acta&rft.date=2016-05-20&rft.volume=632&rft.spage=18-22&rft.epage=18-22&rft.eissn=0040-6031&rft.issn=0040-6031&rft.au=ROSA,%20Fr%C3%A9d%C3%A9ric&N%C3%89GRIER,%20Philippe&CORVIS,%20Yohann&ESPEAU,%20Philippe&rft.genre=article


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