Condensation of o-thiocyanatoacetophenone with hydroxylamine. Properties and X-ray crystal structure analysis of (Z)-2-hydroxyimino4-methyl-2H-1,3-benzo[e]thiazine

Abstract

The i.r., u.v., n.m.r., and mass spectra, and X-ray crystal structure analysis of the title compound are given. Crystals are orthorhombic, with a= 14.100(6), b= 12.461(7), c= 4.972(2)Å, space group P2₁2₁2₁, Z= 4. The structure was solved by the heavy-atom technique and refined by least-squares to R 0.051. The structural formula of the compound, assigned on the basis of the X-ray analysis, is helpful in devising syntheses of 3-substituted 1,2-benzisothiazoles