title: The topological pressure-temperature phase diagram and crystal structures of the dimorphic system spiperone.
abstract: The topological pressure-temperature phase diagram for the dimorphism of spiperone, a potent neuroleptic drug, has been constructed using literature data and improved crystal structures obtained with new crystallographic data from single-crystal X-ray diffraction at various temperatures. It is inferred that form II, which is the more dense form and exhibits the lower melting temperature, becomes the more stable phase under pressure. Under ambient conditions, form I is more stable.
authors.affiliation: EA 3233, crystal genesis unit, IMR 4114, UR, laboratoire SMS, Normandie université, 76821 Mont-Saint-Aignan cedex, France; Sanofi R&D, lead generation & compound realization/analytical sciences/solid state group, 13, quai Jules-Guesde, 94400 Vitry-sur-Seine, France.
authors.forename: B
authors.initials: B
authors.lastname: Robert
authors.affiliation: Sanofi R&D, lead generation & compound realization/analytical sciences/solid state group, 13, quai Jules-Guesde, 94400 Vitry-sur-Seine, France.
authors.forename: M-A
authors.initials: MA
authors.lastname: Perrin
authors.affiliation: EA 3233, crystal genesis unit, IMR 4114, UR, laboratoire SMS, Normandie université, 76821 Mont-Saint-Aignan cedex, France.
authors.forename: G
authors.initials: G
authors.lastname: Coquerel
authors.affiliation: Caractérisation des matériaux à activité thérapeutique (CAMMAT), faculté de pharmacie, université Paris Descartes, 4, avenue de l'Observatoire, case 23, 75006 Paris, France.
authors.forename: R
authors.initials: R
authors.lastname: Céolin
authors.affiliation: Caractérisation des matériaux à activité thérapeutique (CAMMAT), faculté de pharmacie, université Paris Descartes, 4, avenue de l'Observatoire, case 23, 75006 Paris, France. Electronic address: ivo.rietveld@parisdescartes.fr.
authors.forename: I B
authors.initials: IB
authors.lastname: Rietveld
mesh_terms: D014150:Antipsychotic Agents / Q000737:chemistry*; D003460:Crystallization; D008958:Models, Molecular; D013134:Spiperone / Q000737:chemistry*; D013696:Temperature; D013816:Thermodynamics; D014961:X-Ray Diffraction
chemical_list: D014150:Antipsychotic Agents; D013134:Spiperone
keywords: Comportement de phase; Crystal structure; Dilatation thermique; Phase behavior; Physical stability; Polymorphism; Polymorphisme; Stabilité physique; Structure cristalline; Thermal expansion; Thermodynamics; Thermodynamique