Synthesis, Bioactivity and Crystal Structure Analysis of Diisopropyl[(4-cyanopyrazol-3-ylamino)(2- h

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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, 1H NMR, elemental analysis and single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with α= 9.1840(13), b=9.2278(13), c=12.1952(17) (A), α=93.846(2), β=90.947(2), γ=111.289(2)°, V= 959.9(3) A3, Dc =1.309 g/cm3, Z=2,μ(MoKa)=0.173, F(000)=400, the final R=0.0414 and wR=0.1196 for 2985 observed reflections (I>2σ(I)). The pyrazole and benzene moieties are approximately coplanar in each case. The dihedral angle between planes 1 and 2 is 82.99°. The crystal structure is stabilized by three intermolecular hydrogen bonds of O(I)-H(1)…O(2), N(2)-H(2)…N(3) and N(2)-H(2)…O(1). Preliminary bioassay indicated that the title compound possessed antiviral activity to some extent.
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