Research Article: 5,5′-[1,4-Phenyl­enebis(methyl­enesulfanedi­yl)]bis­[1,3,4-thia­diazol-2(3H)-one] dimethyl sulfoxide disolvate

Date Published: March 01, 2012

Publisher: International Union of Crystallography

Author(s): Sung Kwon Kang, Nam Sook Cho, Siyoung Jang.


The asymmetric unit of the title compound, C12H10N4O2S4·2C2H6OS, contains one half of the p-xylene mol­ecule and one dimethyl sulfoxide mol­ecule. The p-xylene mol­ecule is located about a crystallographic inversion centre. In the mol­ecule, the thia­diazole and benzene rings are almost perpendicular to one another, with a dihedral angle of 88.95 (6)°. In the crystal, an N—H⋯O hydrogen bond is observed between the two components. The dimethyl sulfoxide mol­ecule is disordered over two orientations with an occupancy ratio of 0.879 (1):0.121 (1).

Partial Text

For general background to polydentate macrocyclic compounds, see: Dietrich et al. (1993 ▶); Vogle (1991 ▶). For the synthesis and reactivity of thia­diazole derivatives, see: Cho et al. (1998 ▶, 1999 ▶, 2001 ▶).