Title :

Structure determination of phase II of the antifungal drug griseofulvin by powder X-ray diffraction

Author(s) :

Mahieu, Aurélien [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]
willart, Jean-François [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]
Guerain, Mathieu [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]
Derollez, Patrick [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]
Danede, Florence [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]
Descamps, Marc [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]

Journal title :

Acta Crystallographica Section C Structural Chemistry

Volume number :

74

Pages :

321-324

Publication date :

2018

HAL domain(s) :

Physique [physics]/Matière Condensée [cond-mat]/Systèmes désordonnés et réseaux de neurones [cond-mat.dis-nn]
Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci]
Physique [physics]/Matière Condensée [cond-mat]/Matière Molle [cond-mat.soft]

English abstract : [en]

Two new crystalline polymorphs of the widely used anti­fungal drug griseofulvin (phases II and III), which originate from the crystallization of the melt, have been detected recently. The crystal structure of phase II of ...
Show more >Two new crystalline polymorphs of the widely used anti­fungal drug griseofulvin (phases II and III), which originate from the crystallization of the melt, have been detected recently. The crystal structure of phase II of griseofulvin {systematic name: (2S,6′R)-7-chloro-2′,4,6-trimeth­oxy-6′-methyl-3H,4′H-spiro­[1-benzo­furan-2,1′-cyclo­hex-2-ene]-3,4′-dione}, C17H17ClO6, has been solved by powder X-ray diffraction (PXRD). The PXRD pattern of this new phase was recorded at room temperature using synchrotron radiation. The starting structural model was generated by a Monte Carlo simulated annealing method. The final structure was obtained through Rietveld refinement with soft restraints for inter­atomic bond lengths and angles, except for the aromatic ring, where a rigid-body constraint was applied. The symmetry is ortho­rhom­bic (space group P212121) and the asymmetric unit contains two mol­ecules.Show less >

Language :

Anglais

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

Université de Lille
ENSCL
CNRS
INRA

Collections :

• Unité Matériaux et Transformations (UMET) - UMR 8207

Research team(s) :

Matériaux Moléculaires et Thérapeutiques

Submission date :

2019-05-17T09:11:13Z
2019-10-25T10:33:16Z