IUCrData (Mar 2023)

(1S,2S)-2-[(S)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralol

  • Kristian Radan,
  • Andrej Emanuel Cotman,
  • Matic Lozinšek

DOI
https://doi.org/10.1107/S2414314623002171
Journal volume & issue
Vol. 8, no. 3
p. x230217

Abstract

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The crystal structure of the title enantiopure tetralol derivative {systematic name: (1S,2S)-2-[(S)-2,2,2-trifluoro-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-ol}, C12H13F3O2, synthesized by asymmetric transfer hydrogenation, was elucidated by low-temperature single-crystal X-ray diffraction. The enantiopure compound crystallizes in the Sohncke space group P212121 with one molecule in the asymmetric unit and features intramolecular as well as intermolecular O—H...O hydrogen bonding. The absolute configuration was established from anomalous dispersion effects.

Keywords