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Crystalline tetrazepam as a case study on the volume change on melting of molecular organic compounds

hal.structure.identifierSciences et Méthodes Séparatives [SMS]
hal.structure.identifierFaculté de Pharmacie de Paris - Université Paris Descartes [UPD5 Pharmacie]
dc.contributor.authorRIETVELD, Ivo
hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
dc.contributor.authorNÉGRIER, Philippe
hal.structure.identifierUniversitat Politècnica de Catalunya = Université polytechnique de Catalogne [Barcelona] [UPC]
dc.contributor.authorBARRIO, Maria
hal.structure.identifierSynthèse et isolement de molécules bio-actives [SIMBA]
dc.contributor.authorALLOUCHI, Hassan
hal.structure.identifierUniversitat Politècnica de Catalunya = Université polytechnique de Catalogne [Barcelona] [UPC]
dc.contributor.authorCEOLIN, René
hal.structure.identifierUniversitat Politècnica de Catalunya = Université polytechnique de Catalogne [Barcelona] [UPC]
dc.contributor.authorTAMARIT, Josep-Lluís
dc.date.issued2020-12-03
dc.identifier.issn0378-5173
dc.description.abstractEnThe volume change on melting is a rarely studied quantity and it is not well understood even if it must reflect the changes in interaction between the solid and the liquid state. It is part of the solid-state information for materials and pharmaceuticals and it is important for the reliability of polymorph stability study results. Using the crystal structure of monoclinic tetrazepam at 150 K and at room temperature, in addition to powder X-ray diffraction as a function of the temperature, the specific volume of tetrazepam has been determined over a large temperature domain. In combination with a pressure-temperature curve for the melting of tetrazepam, its volume change on melting could be determined. With this information and previous data from the literature, the assumption that the volume of the solid increases on average with 11% on melting has been investigated. It can be concluded that this value is not constant; however so far, no simple relationship has been found to relate the solid state to its volume change on melting and using 11% remains best practice. A comparison of the tetrazepam crystal structure with diazepam and nordiazepam has been provided too.
dc.language.isoen
dc.publisherElsevier
dc.rights.urihttp://creativecommons.org/licenses/by-nc/
dc.title.enCrystalline tetrazepam as a case study on the volume change on melting of molecular organic compounds
dc.typeArticle de revue
dc.identifier.doi10.1016/j.ijpharm.2020.120124
dc.subject.halChimie/Cristallographie
dc.subject.halChimie/Chimie théorique et/ou physique
dc.subject.halSciences du Vivant [q-bio]/Sciences pharmaceutiques
bordeaux.journalInternational Journal of Pharmaceutics
bordeaux.page120124
bordeaux.volume593
bordeaux.peerReviewedoui
hal.identifierhal-03053325
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-03053325v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=International%20Journal%20of%20Pharmaceutics&rft.date=2020-12-03&rft.volume=593&rft.spage=120124&rft.epage=120124&rft.eissn=0378-5173&rft.issn=0378-5173&rft.au=RIETVELD,%20Ivo&N%C3%89GRIER,%20Philippe&BARRIO,%20Maria&ALLOUCHI,%20Hassan&CEOLIN,%20Ren%C3%A9&rft.genre=article


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