6533b7ddfe1ef96bd1274a7b
RESEARCH PRODUCT
Two polymorphs of afobazole from powder diffraction data
Vladimir V. ChernyshevVladimir V. ChernyshevYurii A. VelikodnyDmitry I. DavlyatshinSanita PetkunePavel V. NosyrevRaimonds AuzinsAndris Actinssubject
Models MolecularAtmospheric waterChemistryMorpholinesGeneral MedicineAnxiolytic drugCrystal structureGeneral Biochemistry Genetics and Molecular BiologyCrystalCrystallographyX-Ray DiffractionBenzimidazolesCrystallizationPowder DiffractionPowder diffractionMonoclinic crystal systemdescription
Afobazole {systematic name: 2-[2-(morpholin-4-yl)ethylsulfanyl]-1H-benzimidazole} is a new anxiolytic drug and Actins, Auzins & Petkune [(2012). Eur. Patent EP10163962] described four polymorphic modifications. In the present study, the crystal structures of two monoclinic polymorphs, 5-ethoxy-2-[2-(morpholin-4-ium-4-yl)ethylsulfanyl]-1H-benzimidazol-3-ium dichloride, C15H23N3O2S2+·2Cl−, (II) and (IV), have been established from laboratory powder diffraction data. The crystal packing and conformation of the dications in (II) and (IV) are different. In (II), there are channels in the [001] direction, which offer atmospheric water molecules an easy way of penetrating into the crystal structure, thus explaining the higher hygroscopicity of (II) compared with (IV).
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2012-09-11 | Acta Crystallographica Section C Crystal Structure Communications |