Synthesis, Bioactivity and Crystal Structure Analysis of Diisopropyl[(4-cyanopyrazol-3-ylamino)(2-hydroxyl-phenyl)methyl]phosphonate

The title compound, diisopropyl[(4-cyanopyrazol-3-ylamino)(2-hydroxylphenyl)methyl] phosphonate was synthesized by the addition reaction of diisopropyl phosphite and N-(4-cyanopyrazole-3-yl)-2-hydroxylphenyl-imine. Its structure was characterized by IR, H-1 NMR, elemental analysis and single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P (1) over bar With a = 9.1840(13), b = 9.2278(13), c = 12.1952(17) angstrom, alpha = 93.846(2), beta = 90.947(2), gamma = 111.289(2)degrees, V = 959.9(3) angstrom(3), D-c = 1.309 g/cm(3), Z = 2, mu(MoKa) = 0.173, F(000) = 400; the final R = 0.0414 and wR = 0.1196 for 2985 observed reflections (I > 2 sigma(I)). The pyrazole and benzene moieties are approximately coplanar in each case. The dihedral angle between planes 1 and 2 is 82.99 degrees. The crystal structure is stabilized by three intermolecular hydrogen bonds of O(1)-H(1)center dot center dot center dot O(2), N(2)-H(2)center dot center dot center dot N(3) and N(2)-H(2)center dot center dot center dot O(1). Preliminary bioassay indicated that the title compound possessed antiviral activity to some extent.