Synthesis and Structure of 6-(4- Fluorobenzylamino)-3-methylthio-1,5- diphenyl-1H-pyrazolo3,4-dpyrimidin-4(5H)-one

摘要

The title compound (C25H20FN5OS) has been synthesized and its crystal structure was determined by X-ray analysis. The crystal belongs to the orthorhombic system, space group Pbca with a = 10.327(4), b = 20.307(7), c = 21.234(9)(A), α = 90, β = 90, γ = 90°, V = 4453(3) (A)3, Z = 8, Dc = 1.365 g/cm3, Mr = 457.52, μ = 0.182 mm-1, F(000) = 1904, the final R = 0.0600 and wR = 0.0932 for 3911obsered reflections with I≥2σ(I). In the title compound, the S(1), C(1), C(2), C(3), C(4), C(5), N(1), N(2), N(3), N(4), O(1) and N(5) atoms form a mean planeⅠroughly within the average deviation of 0.0207 (A). The dihedral angles between planesⅠandⅡ(C(19)-C(20)- C(21)-C(22)-C(23)-C(24)),Ⅲ(C(6)-C(7)-C(8)-C(9)-C(10)-C(11)) and Ⅳ(C(12)-C(13)-C(14)- C(15)-C(16)-C(17)-C(18)-F(1)) are 21.40, 84.00 and 75.88o, respectively.