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Crystal structures and phase relationships of 2 polymorphs of 1,4-Diazabicyclo[3.2.2]nonane-4-Carboxylic Acid 4-Bromophenyl Ester Fumarate, A selective a-7 nicotinic receptor partial agonist
dc.contributor.author | Robert, Benoit |
dc.contributor.author | Perrin, Marc-Antoine |
dc.contributor.author | Barrio Casado, María del |
dc.contributor.author | Tamarit Mur, José Luis |
dc.contributor.author | Coquerel, Gerard |
dc.contributor.author | Céolin, René |
dc.contributor.author | Rietveld, Ivo B. |
dc.contributor.other | Universitat Politècnica de Catalunya. Departament de Física |
dc.date.accessioned | 2017-04-21T11:33:16Z |
dc.date.available | 2017-04-21T11:33:16Z |
dc.date.issued | 2016-01 |
dc.identifier.citation | Robert, B., Perrin, M., Del Barrio, M., Tamarit, J. Ll., Coquerel, G., Céolin, R., Rietveld, I. Crystal structures and phase relationships of 2 polymorphs of 1,4-Diazabicyclo[3.2.2]nonane-4-Carboxylic Acid 4-Bromophenyl Ester Fumarate, A selective a-7 nicotinic receptor partial agonist. "Journal of pharmaceutical sciences", Gener 2016, vol. 105, núm. 1, p. 64-70. |
dc.identifier.issn | 0022-3549 |
dc.identifier.uri | http://hdl.handle.net/2117/103613 |
dc.description.abstract | Two polymorphs of the 1:1 fumarate salt of 1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid 4-bromophenyl ester, developed for the treatment of cognitive symptoms of schizophrenia and Alzheimer disease, have been characterized. The 2 crystal structures have been solved, and their phase relationships have been established. The space group of form I is P21/c with a unit-cell volume of 1811.6 (5) Å3 with Z = 4. The crystals of form I were 2-component nonmerohedral twins. The space group of form II is P21/n with a unit-cell volume of 1818.6 (3) Å3 with Z = 4. Relative stabilities have been inferred from experimental and topological P-T diagrams exhibiting an overall enantiotropic relationship between forms I and II although the solid–solid transition has never been observed. The slope of the I-II equilibrium in the P-T diagram is negative, form II is the stable phase below the solid–solid transition temperature of 371 K, and form I exhibits a stable melting equilibrium. The I-II transition temperature has been obtained from the intersection of the sublimation curves of the 2 solid forms. |
dc.format.extent | 7 p. |
dc.language.iso | eng |
dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Spain |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ |
dc.subject | Àrees temàtiques de la UPC::Física::Física de l'estat sòlid |
dc.subject.lcsh | Crystals |
dc.subject.lcsh | Thermodynamics |
dc.subject.other | polymorphism |
dc.subject.other | thermodynamics |
dc.subject.other | physical stability |
dc.subject.other | solid state |
dc.subject.other | phase transition |
dc.subject.other | topological phase diagram |
dc.subject.other | Clapeyron equation |
dc.subject.other | crystal structure |
dc.subject.other | high pressure |
dc.subject.other | thermal analysis |
dc.title | Crystal structures and phase relationships of 2 polymorphs of 1,4-Diazabicyclo[3.2.2]nonane-4-Carboxylic Acid 4-Bromophenyl Ester Fumarate, A selective a-7 nicotinic receptor partial agonist |
dc.type | Article |
dc.subject.lemac | Termodinàmica |
dc.subject.lemac | Cristalls |
dc.contributor.group | Universitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials |
dc.identifier.doi | 10.1016/j.xphs.2015.10.015 |
dc.relation.publisherversion | http://jpharmsci.org/article/S0022-3549(15)00016-7/abstract |
dc.rights.access | Open Access |
local.identifier.drac | 19770028 |
dc.description.version | Postprint (author's final draft) |
local.citation.author | Robert, B.; Perrin, M.; Del Barrio, M.; Tamarit, J. Ll.; Coquerel, G.; Céolin, R.; Rietveld, I. |
local.citation.publicationName | Journal of pharmaceutical sciences |
local.citation.volume | 105 |
local.citation.number | 1 |
local.citation.startingPage | 64 |
local.citation.endingPage | 70 |
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