Folded conformations. Part V. Crystal and molecular structure of ethyl N-methyl-N-(p-tolylsulphonylmethyl)carbamate at –160 °C

Abstract

The crystal and molecular structure at –160°C of the title compound (monoclinic, a= 9·160 ± 0·001, b= 7·970 ± 0·002, c= 19·257 ± 0·004 Å, β= 106·01 ± 0·02°, space group P2₁/c, Z= 4) has been determined by direct methods and refined by anisotropic least-squares techniques to R 0·047 for 6805 independent reflections (diffractometer data). The molecule has a folded conformation; this corroborates evidence, from earlier n.m.r. and u.v. spectral studies for this and closely related compounds in solution. A number of bond lengths differ significantly from expected values: C–S (phenyl–sulphonyl) 1·751, C–S (methylene–sulphonyl) 1·806, and N–C (carbamate) 1·371 Å.