6533b82dfe1ef96bd1291f83
RESEARCH PRODUCT
A triclinic polymorph of (−)-(S)-N-benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide
Alexandre ClavelHugo LaureanoYoann Rousselinsubject
ChemistryHydrogen bondAbsolute configurationGeneral ChemistryTriclinic crystal systemCondensed Matter PhysicsBioinformaticsOrganic PapersCrystalCrystallographychemistry.chemical_compoundPyranBromideMoleculeGeneral Materials ScienceMonoclinic crystal systemdescription
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.
year | journal | country | edition | language |
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2013-11-01 | Acta Crystallographica Section E Structure Reports Online |