Synthesis, Crystal Structure and Biological Activity of a New 1,2,4-Triazole Derivative

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A new 1,2,4-triazole containing cyclopropane moiety was synthesized and characte- rized by 1H NMR, MS and elemental analyses. The crystal structure of the title compound (C13H14FN3S, Mr = 263.33) has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/c with a = 12.614(3), b = 7.0202(14), c = 15.556(3), β = 110.92(3)°, V = 1286.7(4)3 , Z = 4, F(000) = 552, Dc = 1.359 g/cm 3 , μ = 0.25 mm-1 , the final R = 0.0336 and wR = 0.0898 for 2568 observed reflections with Ⅰ > 2σ(Ⅰ). A total of 10093 reflections were collected, of which 3045 were independent (Rint = 0.0268). The herbicidal activity of the title compound was determined, and this compound displays excellent herbicidal activity against Brassica campestris. A new 1,2,4-triazole containing cyclopropane moiety was synthesized and charactezed by 1H NMR, MS and elemental analyzes. The crystal structure of the title compound (C13H14FN3S, Mr = 263.33) has been determined by single-crystal X- ray diffraction. The crystal is of monoclinic, space group P21 / c with a = 12.614 (3), b = 7.0202 (14), c = 15.556 The final R = 0.0336 and wR = 0.0898 for 2568 were observed with the reflections of I> 2σ (I), Z3, Z = 4, F (000) = 552, Dc = 1.359 g / cm 3, . A total of 10093 reflections were collected, of which 3045 were independent (Rint = 0.0268). The herbicidal activity of the title compound was determined, and this compound displays excellent herbicidal activity against Brassica campestris.
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