Tautomerism of diazidopyrimidines. Molecular structure of 2,4-diazido-5-iodopyrimidine

Abstract

The molecular structure of the title compound has been determined by single-crystal X-ray analysis. Crystals are monoclinic, a= 11.08(1), b= 4.823(5), c= 15.86(1)Å, β= 92.1(1)°Z= 4, space group P2₁/n. The structure was determined by Patterson and electron-density methods and refined by full-matrix least-squares methods to R 0.046 for 1 170 independent reflections. The compound exists in the diazido-form rather than as one of the potential tetrazolo tautomers.