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dc.contributor.authorRietveld, Ivo B.
dc.contributor.authorNegrier, Philippe
dc.contributor.authorBarrio Casado, María del
dc.contributor.authorAllouchi, Hassan
dc.contributor.authorCéolin, René
dc.contributor.authorTamarit Mur, José Luis
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física
dc.date.accessioned2021-09-30T11:47:55Z
dc.date.available2022-01-25T01:26:50Z
dc.date.issued2021-01-25
dc.identifier.citationRietveld, I. [et al.]. Crystalline tetrazepam as a case study on the volume change on melting of molecular organic compounds. "International journal of pharmaceutics", 25 Gener 2021, vol. 593, p. 120124:1-120124:8.
dc.identifier.issn0378-5173
dc.identifier.urihttp://hdl.handle.net/2117/352745
dc.description.abstractThe 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.isoeng
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Spain
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subjectÀrees temàtiques de la UPC::Física::Física de l'estat sòlid::Cristalls
dc.subject.lcshCrystals
dc.subject.otherCrystal structure
dc.subject.otherSpecific volume
dc.subject.otherCalorimetry
dc.subject.otherPhase behavior
dc.subject.otherPhase diagram
dc.subject.otherX-ray diffraction
dc.subject.otherMolecular interaction
dc.titleCrystalline tetrazepam as a case study on the volume change on melting of molecular organic compounds
dc.typeArticle
dc.subject.lemacCristalls
dc.subject.lemacCalorimetria
dc.contributor.groupUniversitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials
dc.identifier.doi10.1016/j.ijpharm.2020.120124
dc.description.peerreviewedPeer Reviewed
dc.relation.publisherversionhttps://www.sciencedirect.com/science/article/abs/pii/S0378517320311091
dc.rights.accessOpen Access
local.identifier.drac30826637
dc.description.versionPostprint (author's final draft)
local.citation.authorRietveld, I.; Negrier, P.; Del Barrio, M.; Allouchi, H.; Céolin, R.; Tamarit, J. Ll.
local.citation.publicationNameInternational journal of pharmaceutics
local.citation.volume593
local.citation.startingPage120124:1
local.citation.endingPage120124:8


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