The crystal structure of dithiobismorpholine (C4H8NOS)2

Abstract

The crystal and molecular structure of dithiobismorpholine has been determined by X-ray diffraction techniques. It crystallises in the monoclinic system with cell parameters a = 5.69 ± 0.03 Å, b = 8.86 ± 0.04 Å, c = 22.59 ± 0.08 Å, β β = 92.5 ± 0.2°. The space group is P 2 1 / n and there are four molecules per unit cell. Three dimensional data were collected using a Weissenberg camera, the structure solved from a Patterson synthesis and least-squares refinement has been completed. The hydrogen atoms have been found and included but not refined. The final residual is 7.0%. The structure consists of discrete molecules which are bent into a somewhat open horse-shoe shape and are associated in pairs with open ends facing. They are linked by van der Waals forces. Within the molecule the following mean bond lengths have been found (uncorrected for thermal motion): sulphur—sulphur 2.068(8) Å, sulphur—nitrogen 1.687(7) Å, nitrogen—carbon 1.454(7) Å, carbon—carbon 1.510(9) Å and carbon—oxygen 1.422(8) Å.