2-AMINO-4-NITROBENZOTHIAZOLE

The crystal structure of the title compound, C7H5N3O2S, consists of ce ntrosymmetric dimers, the principal intradimer interaction being two p airs of three-centre hydrogen bonds involving the amino group, the rin g N atom and one O atom of the nitro group. The structure is compared with those of three unsubstituted 2-aminobenzothiazoles reported earli er. The molecule exists as a resonance hybrid of two tautomers, one ne utral and the other dipolar. There is some indication that pi density localized in the N-amino-C-N-ring portion of the molecule is in part t ransferred to the nitro group, but this should be confirmed by other t echniques.