Insecticides. XI. Crystal structure of endosulfan, β-6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-endo-6,9-methano-2,4,3-benzodioxathiepin 3-Oxide

Abstract

The crystal structure of hexagonal β-endosulfan (β₁) was determined by direct methods. On a four-circle diffractometer, 2350 reflections were collected. The crystals were hexagonal, (P6₃/m), with Z = 6, in a cell of dimensions a = 1492.0(2), c = 1150.6(2) pm. The structure was refined by least squares to R 0.068 from 573 unique reflections having F > 2.5σ(F). The methylene sulphite ring showed an ?endo-endo-endo? configuration with respect to its attachment to the methano- bridged hexachlorocyclohexane and exo to the oxide portion of the sulphite group. Space group requirements for P6₃/m resulted in the molecules lying along the mirror planes at Z = 1/4 and 3/4.