Synthesis,Crystal Structure and Antifungal Activities of 3-Methyl-1-(4-methylphenyl)-4-(N-4-trifluoromethylphenyl)-aminomethyl-5-(4-methoxyphenylthio)-1H-pyrazole

The title compound 3-methyl-1-（4-methylphenyl）-4-（N-4-trifluoromethylphenyl） aminomethyl-5-（4-methoxyphenylthio）-1H-pyrazole has been synthesized via a four-step reaction and characterized by IR,1H NMR,elemental analysis and X-ray crystallography.The compound crystallizes in monoclinic,space group P21/c with a = 8.7170（15）,b = 18.355（3）,c = 15.292（3） ,β = 103.445（3）°,V = 2379.7（7） 3,Dc = 1.350 g/cm3,Z = 4,μ = 0.184,F（000） = 1008,and the final R = 0.0491 and wR = 0.1339 for 4160 observed reflections(I > 2σ（I）).The results demonstrate that there is a face-to-face π-π stacking interaction between one benzene ring(C（19）;（24）) and another(C（13）;（18）) at a plane-plane distance of 3.3539 .The ring normal and vector between the ring centroids form an angle of 18.2o up to the centroid-to-centroid distance of 3.5273 .The crystal structure is stabilized by the intermolecular hydrogen bond of N（3）-H（3A）···N（2）(symmetry code:A –x+1,–y+1,–z).The preliminary biological test shows that the title compound has a moderate antifungal activity.