Judith L. Flippen

THE CRYSTAL STRUCTURES OF TWO IMINO-1,2,4- DITHIAZOLES FORMED BY THERMAL DECOMPOSITION OF 5-(DIALKYLAMINO)-3-(SUBSTITUTED IMINO)-1,2,4-DITHIAZOLES

Abstract The thermal decomposition products of two substituted imino-1,2,4-dithiazoles have been studied by single crystal x-ray analysis. Both products crystallize in space group P21/c with four molecules per unit cell. The first product, obtained from 5-(dimethylamino)-3-(methylimino)-1,2,4-dithiazole has cell dimensions of a=9.922(8) A, b=12.052(11) A, c=13.358(12) A and β=104.9(1)°. The molecule is made up of two planar segments related by an extremely large twist (−154°) about a C[dbnd]N double bond. The results from this study have also contributed further information in the area of nonbonded interactions between ring and thione sulfur atoms. The second product, from 5-(dimethylamino)-3(phenylimino)-1,2,4-dithiazole was shown to be an ordered 1:1 complex of the starting material and one of its isomers. The cell dimensions are a=12.420(6) A, b=8.840(9) A, c=22.276(22) A and β= 112.2(1)°. The different molecules are linked by an inter molecular NH… N hydrogen bond.