STRUCTURAL STUDY OF 5-METHOXYFURO[3,2-E]IMIDAZO[1,2-C]PYRIMIDINE

The nmr and X-ray diffraction data of the novel ring system furo[3,2-e]imidazo[1,2-c]pyrimidine are reported in this paper. The crystal and molecular structure of this compound (C9H7N3O2.1/2H2O) has been solved at room temperature. Crystals are monoclinic in a space group of P2/n with cell constants a = 9.982(8), b = 13.526(9) and c = 13.981(9) angstrom, beta = 107.44(5)-degrees, V = 1800.9 angstrom3, Z = 8, D(x) = 1.462 Mg.m-3. The structure was solved by full matrix least square refinement giving a final R = 0.054 (Rw = 0.069) for 1263 reflections (I>3.0sigma(I)). The compound is essentially planar, existing in two slightly structural different forms, A and B. These are held in pairs with symmetry related molecules by hydrogen bonds formed with two water molecules. Then the dimeric units are stacked parallel to the c axis to form the tridimensional packing.