Crystal and molecular structure of cis-2-isopropyl-3-(4-nitrophenyl)-oxaziridine

Abstract

The crystal structure of the title compound (monoclinic, a= 11·206, b= 6·516, c= 14·757 Å, β= 98·50°. Z= 4, space group P2₁/n) has been established by direct methods using three-dimensional X-ray counter data. The structure was solved by direct methods and refined by least-squares techniques to R 0·005 for 993 observed reflections. σ For bond lengths is ca. 0·005 Å. The geometry of the nitrophenyl part of the molecule is as expected, and the oxaziridine ring contains a long N–O bond (1·500 Å) a fairly short C–N bond (1·434 Å), and a C–O bond (1·405 Å) of fairly normal length.