Synthesis, Crystal Structure and Biological Activities of 1-（（5-（4-（4-Chlorophenoxy）-2-chlorophenyl）-2,2,3- trimethyloxazolidin-5-yl）methyl）-1H-1,2,4-triazole

摘要

The title compound 1-((5-(4-(4-chlorophenoxy)-2-chlorophenyl)-2,2,3-trimethyl-oxazolidin-5-yl)methyl)-1H-1,2,4-triazole (C21H22Cl2N4O2) has been synthesized and characterized by elemental analysis,IR,1H NMR,MS and single-crystal X-ray diffraction. The crystal belongs to the triclinic system,space group P1 with a=6.891(2),b=9.074(2),c=18.258(4) ,α=99.292(4),β=95.105(4),γ=108.068(3)o,C21H22Cl2N4O2,Mr=433.33,V=1059.3(4)3,Z=2,Dc=1.359 g/cm3,F(000)=452,μ=0.331 mm-1,the final R=0.0448 and wR=0.0994 for 3727 unique reflections. The dihedral angle between the oxazolidine ring taking an envelope conformation with a local pseudo-mirror and the triazole ring is 27.7(9)o. Weak intermolecular C-H???N hydrogen bonds and π-π interactions exist between the triazole rings of neighboring molecules,forming a three-dimensional network,which stabilizes the crystal structure. The primary biological test shows the target compound has certain fungicidal activity.