Crystal structure of 3-Phenylazo-1H-4,1,2-benzothiadiazine (a redetermination)

Abstract

The crystal structure of 3-phenylazo-1H-4,1,2-benzothiadiazine, C₁₃H₁₀N₄S, an oxidation product of 'dithizone', has been redetermined by using diffractometer data, the 1001 'observed' reflections being refined to a residual of 0.030. Crystals are orthorhombic P2₁2₁2₁, a 15.15(1), b 12.008(7), c 6.756(6) Å, Z 4. The molecule is substantially planar, with a number of angular distortions arising from ring substituent interactions.