A gas-phase electron diffraction study of the molecular structure of imidodisulphonyl chloride, (SO 2Cl) 2NH

Abstract

Gas-phase electron diffraction patterns of the title molecule were recorded at 83 and 86°C. The patterns were visibly different, and calculations indicated the presence of an impurity in the gas stream which was more abundant at the lower temperature. Using the data recorded at the higher temperature, it was found that at 86°C (SO 2Cl) 2NH exists as a single conformer in which the two SO 2Cl groups are related by C 2 symmetry, with τ HNSCl = 132.3(5)° (Fig. 2). In the preferred least-squares refinement, ∠OSO was held fixed at 122.4° to overcome parameter correlations largely due to the presence of the impurity. The other principal structural parameters (which were insensitive to this correlation) refined to the following r a-values (and e.s.d.): S=O = 1.417(2) Å, SN = 1.625(5) Å, SCl = 2.016(2) Å, ∠SNS = 129(2)°, ∠NSCl = 103(1)°, ∠NSO = 109(1)°. The structural parameters are in accordance with the trends for related molecules discussed by Hargittai.