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-triazol

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, H-1 NMR, MS and single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P (1) over bar with a = 6.891(2), b = 9.074(2), c = 18.258(4) angstrom, alpha = 99.292(4), beta = 95.105(4), gamma = 108.068(3)degrees, C21H22Cl2N4O2, M-r = 433.33, V = 1059.3(4) angstrom(3), Z = 2, D-c = 1.359 g/cm(3), F(000) = 452, mu = 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)degrees. Weak intermolecular C-H center dot center dot center dot N hydrogen bonds and pi-pi 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.