Electron-diffraction investigation of the molecular structure of sulphonyl chloride isocyanate

Abstract

The electron-diffraction data for the title compound are consistent with two sets of geometric parameters differing in the relation between the CO and NC bond lengths. The other geometric parameters are: S–N 1.656(4), S–Cl 2.019(3), and SO 1.417(3)Å; S–N–C 123.8(38), N–SO 108.3(22), N–S–Cl 98.0(30), Cl–SO 107.8(7), and OSO 122.8(24)°. The conformational properties may be characterised in two ways: (i) by a mixture of two forms having rotation angles of 109(4) and 70(10)°(0 ° corresponds to a form in which the S–Cl bond is anti to the OCN chain) in which the first form predominates [69(7)%]; (ii) by one form having a rotation angle of 86(3)° and a large amplitude of rotation around the S–N bond. The observed molecular geometry is consistent with structural variations found in isocyanates and in sulphonyl chlorides.