Synthesis and Crystal Structure of 2-Benzylsulefnyl- 3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine
摘要
The title compound, C16n14N4S, has been synthesized by the reaction of pentane-2,4-dione with 5-amino-3-benzylthio-4-cyano-1-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)^°A^3, Z = 4,Mr = 294037, Dc= 1.290 g/cm^3,λ= 0.71073^°A，μ(MoKα) = 0.212 mm^-l and F(000) = 616. The structure was refined to R = 0.0533 and wR = 0.1141 for 2672 unique reflections with Rint= 0.06.The structure is a dimmer linked by intermolecular contact S(1)…H-C(8) with the S(1)-C(8)distance of 3.875 ^°A and the angle of 164.8°。
引用本文（GB/T 7714）
RENXue-Ling, WUChao, GAOYing, 等. Synthesis and Crystal Structure of 2-Benzylsulefnyl- 3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine[J]. 结构化学, 2004.
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