CRYSTAL AND MOLECULAR-STRUCTURE OF N-SALICYLIDENE-1,2-DIAMINOBENZENE

In the light of contradictory literature reports, the basic physical a nd spectral properties of N-salicylidene-1,2-diaminobenzene have been revised and its crystal and molecular structure determined. Crystallog raphic data: space group Pna2(1)(No.33), a = 11.501(2), b = 6.833(l), c = 14.232(2) angstrom, V = 1118.6(2) angstrom3, D(c) = 1.26 g CM-3, Z = 4, mu = 0.76 cm-1 (Mo-K(alpha)), number of observed reflections 156 3, F > 6sigma(F), final R and R(w) 0.0359 and 0.0292, respectively. In the solid state, the compound was found to exist as a phenolimine tau tomer, wherein a phenolic hydrogen atom is hydrogen-bonded to the imin e nitrogen atom. The molecule is folded with the planar salicylaldimin e and diaminobenzene portions inclined to each other at 28.7-degrees.