Synthesis, crystal structure, and fungicidal activity of 5-(4-cyclopropyl-5-((3-fluorobenzyl)thio)-4 H -1,2,4-triazol-3-yl)-4-methyl-1,2, 3-thiadiazole

Abstract

A new 1,2,3-thiadiazole compound was synthesized and characterized. The crystal structure of the title compound (C15H14FN 5S2, Mr = 347.43) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P-1 with a=7.0490(14), b=9.0212(18), c=12.799(3) Å, α = 89.97(3)°, β = 82.27(3)°, γ = 73.17(3)°, V = 771.3(3) Å3, Z = 2, F(000) = 360, Dc = 1.496 g/cm3, = 0.036 mm-1, the final R1 = 0.0358, and wR2 = 0.0986 for 2204 observed reflections with I>2σ(I). A total of 5697 reflections were collected, of which 2719 were independent (Rint=0.0028). The herbicidal activity of title compound was determined; the results showed that the title compound displayed excellent fungicidal activity. © 2013 Xing-Hai Liu et al.