6533b7d1fe1ef96bd125cc5c
RESEARCH PRODUCT
(S,S,S,S)-Nebivolol hydro-chloride hemihydrate.
Amelie BruelAlexandre ClavelYoann Rousselinsubject
chemistry.chemical_classificationHydrogen bondChemistrySalt (chemistry)General ChemistryDihedral angleCondensed Matter PhysicsBioinformaticsChlorideOrganic PapersIonlcsh:ChemistryCrystalCrystallographychemistry.chemical_compoundlcsh:QD1-999PyranmedicineGeneral Materials ScienceBenzenemedicine.drugdescription
The asymmetric unit of the title hydrated salt, C22H26F2NO4+·Cl−·0.5H2O, consists of an (S,S,S,S)-nebivolol {nebivol = bis[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]ammonium} cation, a chloride anion and a half-occupancy water molecule. The dihedral angle between the mean planes of the benzene rings is 50.34 (12)°. The pyran rings adopt half-chair conformations. The crystal packing features O—H...O hydrogen bonds and weak N—H...Cl, O—H...Cl, and O—H...Cl interactions, producing layers along (010).
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2012-12-01 | Acta crystallographica. Section E, Structure reports online |