Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 12 (December 2013)

organic compounds

Acta Cryst. (2013). E69, o1794-o1795    [ doi:10.1107/S1600536813030377 ]

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

Y. Rousselin, H. Laureano and A. Clavel

Abstract: The title salt, C18H21FNO2+·Br-, determined at 115 K, crystallizes in the triclinic space group P1. The previously reported polymorph occurs in the monoclinic space group P21 and has two independent mol­ecules in the asymmetric unit [Peeters et al. (1993). Acta Cryst. C49, 2157-2160]. In the title molecule, the pyran rings adopt half-chair conformations. The absolute configuration is S for the hy­droxy-bearing C atom and R for 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 the c-axis direction. The crystal studied was refined as an inversion twin.

CCDC reference: 970428

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