6533b82dfe1ef96bd1291f83

RESEARCH PRODUCT

A triclinic polymorph of (−)-(S)-N-benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide

Alexandre ClavelHugo LaureanoYoann Rousselin

subject

ChemistryHydrogen bondAbsolute configurationGeneral ChemistryTriclinic crystal systemCondensed Matter PhysicsBioinformaticsOrganic PapersCrystalCrystallographychemistry.chemical_compoundPyranBromideMoleculeGeneral Materials ScienceMonoclinic crystal system

description

The title salt, C18H21FNO2+·Br−, determined at 115 K, crystallizes in the triclinic space groupP1. The previously reported polymorph occurs in the monoclinic space groupP21and has two independent molecules in the asymmetric unit [Peeterset al.(1993).Acta Cryst.C49, 2157–2160]. In the title molecule, the pyran rings adopt half-chair conformations. The absolute configuration isSfor the hydroxy-bearing C atom andRfor the asymmetric C atom in the dihydropyran unit. In the crystal, the components are linked by N—H...Br and O—H...Br hydrogen bonds, forming chains along thec-axis direction. The crystal studied was refined as an inversion twin.

https://doi.org/10.1107/s1600536813030377