Corfield Peter W R
Department of Chemistry, Fordham University, 441 East Fordham Road, Bronx, NY 10458, USA.
IUCrdata. 2022 Jan 7;7(Pt 1):x211351. doi: 10.1107/S2414314621013511. eCollection 2022 Jan.
The title compound, CHBrOS, crystallizes as the isomer of a diastereoisomeric pair. This structure determination was key to determining that the 1,3 elimination of bromine by tri-phenyl-phosphine occurs with inversion of the configuration at each of the two chiral carbon atoms. In the crystal, the molecules are linked by weak C-H⋯O and C-H⋯Br hydrogen bonds.
标题化合物CHBrOS以非对映异构体对中的一种异构体形式结晶。该结构测定对于确定三苯基膦对溴的1,3消除反应在两个手性碳原子上均发生构型翻转至关重要。在晶体中,分子通过弱的C-H⋯O和C-H⋯Br氢键相连。