organic compounds
The crystal structure of the title compound, C7H5N3O2S, consists of centrosymmetric dimers, the principal intradimer interaction being two pairs of three-centre hydrogen bonds involving the amino group, the ring N atom and one O atom of the nitro group. The structure is compared with those of three unsubstituted 2-aminobenzothiazoles reported earlier. The molecule exists as a resonance hybrid of two tautomers, one neutral and the other dipolar. There is some indication that π density localized in the Namino—C—Nring portion of the molecule is in part transferred to the nitro group, but this should be confirmed by other techniques.
Supporting information
Crystallographic Information File (CIF) |
CCDC reference: 126515