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Crystal structure and solid-state properties of 3,4-diaminopyridine dihydrogen phosphate and their comparison with other diaminopyridine salts
dc.contributor.author | Mahe, N. |
dc.contributor.author | Nicolaï, B. |
dc.contributor.author | Allouchi, Hassan |
dc.contributor.author | Barrio Casado, María del |
dc.contributor.author | Do, Bernat |
dc.contributor.author | Céolin, René |
dc.contributor.author | Tamarit Mur, José Luis |
dc.contributor.author | Rietveld, Ivo B. |
dc.contributor.other | Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear |
dc.date.accessioned | 2013-04-15T15:29:38Z |
dc.date.created | 2013-02 |
dc.date.issued | 2013-02 |
dc.identifier.citation | Mahe, 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.issn | 1528-7483 |
dc.identifier.uri | http://hdl.handle.net/2117/18803 |
dc.description.abstract | 3,4-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.extent | 8 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::Enginyeria química::Química orgànica::Compostos orgànics |
dc.subject | Àrees temàtiques de la UPC::Ciències de la salut::Medicina::Farmacologia |
dc.subject.lcsh | Salts |
dc.subject.lcsh | Hydrogen bonding |
dc.title | Crystal structure and solid-state properties of 3,4-diaminopyridine dihydrogen phosphate and their comparison with other diaminopyridine salts |
dc.type | Article |
dc.subject.lemac | Química orgànica física |
dc.subject.lemac | Farmacologia humana |
dc.contributor.group | Universitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials |
dc.identifier.doi | 10.1021/cg3014249 |
dc.rights.access | Restricted access - publisher's policy |
local.identifier.drac | 11852370 |
dc.description.version | Postprint (published version) |
dc.date.lift | 10000-01-01 |
local.citation.author | Mahe, N.; Nicolaï, B.; Allouchi, H.; Del Barrio, M.; Do, B.; Céolin, R.; Tamarit, J.; Rietveld, I. |
local.citation.publicationName | Crystal growth and design |
local.citation.volume | 13 |
local.citation.number | 2 |
local.citation.startingPage | 708 |
local.citation.endingPage | 715 |
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