(1 S,2 S)-2-[(S)-2,2,2-Tri-fluoro-1-hy-droxy-eth-yl]-1-tetra-lol

IUCrdata. 2023 Mar 15;8(Pt 3):x230217. doi: 10.1107/S2414314623002171. eCollection 2023 Mar.

Abstract

The crystal structure of the title enanti-opure tetralol derivative {systematic name: (1S,2S)-2-[(S)-2,2,2-tri-fluoro-1-hy-droxy-eth-yl]-1,2,3,4-tetra-hydro-naph-thalen-1-ol}, C12H13F3O2, synthesized by asymmetric transfer hydrogenation, was elucidated by low-temperature single-crystal X-ray diffraction. The enanti-opure compound crystallizes in the Sohncke space group P212121 with one mol-ecule in the asymmetric unit and features intra-molecular as well as inter-molecular O-H⋯O hydrogen bonding. The absolute configuration was established from anomalous dispersion effects.

Keywords: asymmetric transfer hydrogenation; crystal structure; tetra­lol; tri­fluoro­methyl group.

Grants and funding

Funding for this research was provided by: European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant No. 950625); Jožef Stefan Institute Director’s Fund; Slovenian Research Agency (grant No. P1-0208).