MIN Li-Jing;QIAO Li;WANG Han;HAN Liang;LIU Xing-Hai;College of Life Science, Huzhou University;College of Chemical Engineering, Zhejiang University of Technology;
College of Life Science, Huzhou University;College of Chemical Engineering, Zhejiang University of Technology;
The title compound 4-cyclopropyl-3-((4-fluorobenzyl)sulfonyl) 5-methyl-4 H-1,2,4-triazole(C_(13)H_(14)FN_3O_2S) was synthesized, and its structure was confirmed by ~1H NMR, MS, elemental analysis and X-Ray diffraction. It crystallizes in monoclinic system, space group P2_(1/c) with a = 8.4920(17), b = 14.004(3), c = 11.349(2) ?, β = 102.80(3)°, V = 1316.1(5) ?~3, Z = 4, the final R = 0.0344 and wR = 0.0897 for 2049 observed reflections with I > 2σ(I). The preliminary biological test shows that the title compound has good herbicidal activities against Brassica campestris and moderate inhibitory against KARI. The docking was also studied.
synthesis;;crystal structure;;biological activities;;docking
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