Crystal Structure of S₈ Molecule from Thiourea

Abstract

Sulfur S₈ was isolated from a reaction solution of thiourea and bismuth nitrate in N,N-dimethylformamide. The crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the orthorhombic space group Fddd with a = 10.3310(8)Å, b = 12.6786(10)Å, c = 24.3519(19)Å, V = 3189.7(4)ų, D_x = 2.136 g/cm³, and Z = 6. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0220 and 0.0570, respectively, for all 1864 independent reflections. The S₈ molecule has a crown-shaped ring structure with the α-form.