The title compound, C16H14N4S, 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 title compound, C16H14N4S, 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) ? b = 92.400(8), V = 1515.5(10) 3, Z = 4, Mr = 294037, Dc = 1.290 g/cm3, = 0.71073 ? (MoKa) = 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. The structure is a dimmer linked by intermolecular contact S(1)…HC(8) with the S(1)C(8) distance of 3.875 and the angle of 164.8.展开更多
基金The project was supported by the National Natural Science Foundation of China (No. 20172031) and the Research Fund for the Doctoral Program of Ministry of Education China
文摘The title compound, C16H14N4S, 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) ? b = 92.400(8), V = 1515.5(10) 3, Z = 4, Mr = 294037, Dc = 1.290 g/cm3, = 0.71073 ? (MoKa) = 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. The structure is a dimmer linked by intermolecular contact S(1)…HC(8) with the S(1)C(8) distance of 3.875 and the angle of 164.8.
