Synthesis and Crystal Structure of 2-Benzylsulfnyl-3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine

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The title compound, C16H14N4S, has been synthesized by the reaction of pentane-2,4-dione with 5-amino-3-benzylthio-4-cyano-l-H-pyrazole in ethanol, and its crystal structure was determined by X-ray diffraction method. The crystal is of monoclinic, space group P21/n with a=8.699(3), b=23.139(9), c=7.536(3) A, β= 92.400(8)°, V= 1515.5(10) A3, Z=4,Mr=294037, Dc= 1.290 g/cm3, λ=0.71073 A,μ(MoKo)=0.212 mm-1 and F(000)=616. The structure was refined to R=0.0533 and wR=0.1141 for 2672 unique reflections with Rint= 0.06.distance of 3.875 A and the angle of 164.8°.
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