Crystal structure of 3-Phenylbenzothiazolo[2,3-b]thiazol-1-io-2-olate

Abstract

The crystal structure of the title compound, C₁₅H₉NOS₂, has been determined by single-crystal X-ray diffraction methods at 295 K, being refined to a residual of 0.057 for 2006 independent 'observed' reflections. Crystals are monoclinic, P2₁/n, a 13.467(5), b 9.426(3), c 20.680(9) Å, β 107.38(3)º, Z = 8. The two molecules are substantially planar; close intermolecular contacts as well as bond-order distributions are strongly suggestive of negative charge localization on the oxygen atoms with positive charge density localized in the S-C-S string.