Synthesis and Crystal Structure of (4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Abstract

The crystal structure of the (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one has been determined by single crystal X-ray diffraction method. The compound crystallizes in the monoclinic system, space group P2(1) with a = 11.867(4) Å, b = 5.6968(19) Å, c = 20.258(7) Å, a = 90.00º, b = 91.866(4)º, g = 90.00º, Z = 4 , V = 1368.8(8) ų, Dx = 1.520 Mg/m³, F₍₀₀₀₎ = 632, μ(MoK_a) = 0.157 mm^-1, R = 0.0562 and wR = 0.1744 for 3675 reflections with I > 2s(I). X-Ray analysis reveals that the benzene and oxazolidin rings are non-coplanar. The oxazolidin ring displays a twist conformation. The two molecules interact with each other by two strong N-H···O hydrogen bonds. Herein, we report the synthesis and crystal structure of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.