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dc.contributor.authorMahe, N.
dc.contributor.authorNicolaï, B.
dc.contributor.authorAllouchi, Hassan
dc.contributor.authorBarrio Casado, María del
dc.contributor.authorDo, Bernat
dc.contributor.authorCéolin, René
dc.contributor.authorTamarit Mur, José Luis
dc.contributor.authorRietveld, Ivo B.
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear
dc.date.accessioned2013-04-15T15:29:38Z
dc.date.created2013-02
dc.date.issued2013-02
dc.identifier.citationMahe, N. [et al.]. Crystal structure and solid-state properties of 3,4-diaminopyridine dihydrogen phosphate and their comparison with other diaminopyridine salts. "Crystal growth and design", Febrer 2013, vol. 13, núm. 2, p. 708-715.
dc.identifier.issn1528-7483
dc.identifier.urihttp://hdl.handle.net/2117/18803
dc.description.abstract3,4-Diaminopyridine is an active pharmaceutical ingredient for the treatment of Lambert−Eaton myasthenic syndrome (LEMS). It is 3,4-diaminopyridine dihydrogen phosphate that has become the active ingredient of choice. As part of a larger study for the development of this drug, solid-state studies have been carried out. At room temperature, the crystals are monoclinic (C2/c). Dihydrogen phosphate anions H2PO4 − form infinite chains parallel to the b axis, and these chains can be considered as macroanions (H2PO4)∞. The organic cations form hydrogen bonds with the macroanions bridging them together. A negative thermal expansion is observed along the [103] direction in the crystal, which coincides with the direction of chains of interchanging anions and cations. The crystal packing shows similarities with the hydrogen tartrate salt as illustrated by a Hirshfeld surface analysis. This phosphate and this tartrate salt are also the two diaminopyridine salts that have been selected for therapeutic use because of their appropriate physical properties.
dc.format.extent8 p.
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::Enginyeria química::Química orgànica::Compostos orgànics
dc.subjectÀrees temàtiques de la UPC::Ciències de la salut::Medicina::Farmacologia
dc.subject.lcshSalts
dc.subject.lcshHydrogen bonding
dc.titleCrystal structure and solid-state properties of 3,4-diaminopyridine dihydrogen phosphate and their comparison with other diaminopyridine salts
dc.typeArticle
dc.subject.lemacQuímica orgànica física
dc.subject.lemacFarmacologia humana
dc.contributor.groupUniversitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials
dc.identifier.doi10.1021/cg3014249
dc.rights.accessRestricted access - publisher's policy
local.identifier.drac11852370
dc.description.versionPostprint (published version)
dc.date.lift10000-01-01
local.citation.authorMahe, N.; Nicolaï, B.; Allouchi, H.; Del Barrio, M.; Do, B.; Céolin, R.; Tamarit, J.; Rietveld, I.
local.citation.publicationNameCrystal growth and design
local.citation.volume13
local.citation.number2
local.citation.startingPage708
local.citation.endingPage715


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Except where otherwise noted, content on this work is licensed under a Creative Commons license : Attribution-NonCommercial-NoDerivs 3.0 Spain