T. Balasubramanian et al., MOLECULAR-STRUCTURE OF N,N-BIS(BENZIMIDAZOL-2-YLETHYL)SULFIDE DIHYDROCHLORIDE DIHYDRATE, A HEAVY-METAL CHELATING LIGAND, Journal of chemical crystallography, 26(7), 1996, pp. 457-460
The title compound contains two benzimidazole nitrogens and one thioet
her sulfur atom, which are potential sites for metal ion binding. Both
the benzimidazole nitrogens of the molecule are protonated. The benzi
midazole rings are almost parallel to each other, the dihedral angle b
eing 6.9(1)degrees. The C-S-C bond angle is 100.6(2)degrees and the C-
S-C-C torsion angles are -75.9(3)degrees and -80.6(3)degrees, leading
to gauche conformation which is one of the favored conformations in th
e crystalline state of simple monothioethers.