Study of the alkaline hydrolysis of ethyl 2-(1,2-benzisothiazolin-3-ylidene)cyanoacetate: spectroscopic properties, and X-ray crystal analysis of 2,4-bis-(1,2-benzisothiazol-3-yl)3-aminocrotononitrile–dimethylformamide

Abstract

The i.r., u.v., n.m.r., and mass spectra, and X-ray crystal analyses of the title compound are given. Crystals are monoclinic with a= 8·85(1), b= 12·08(1), c= 19·52(1)Å, β= 95·9(2)°, space group P2₁/c, Z= 4. The structure was solved by a symbolic addition procedure and refined by least-squares to R 0·082. The structural formula of the compound, assigned on the basis of crystal analysis, is helpful in elucidating the process of hydrolysis of ethyl 2-(1,2-benzisothiazolin-3-ylidene)cyanoacetate.