Crystal and molecular structure of (2S,5S)-2-t-butyl-5-phenyl-1,3-dioxolan-4-one, C₁₃H₁₆O₃

Abstract

2S,5S)-2-t-butyl -5 -phenyl -1,3 -dioxolan -4 -one, C 13 H 16 C>3, MW = 220.27, monoclinic, P2" a = 10.42(1), b = 5.69(1), c = 10.79(1) A, β = 109.8(1)°, V = 602.0 Â 3 , Ζ = 2, D e = 1.214 Mg · m" 3 , ¿(Cuto) = 1.5418 Â, /i(Cutfat) = 7.04 cm-1 , F(000) = 236, Τ = 290(1)°, R = 0.063 for 684 observed reflections. The five-membered ring shows an envelope conformation with 0(3) lying out of the plane of the ester group. The substituents are cü-related and occupy pseudoequatorial positions.