Synthesis, Crystal Structure and Biological Activity of A Novel 1,2,3-Thidiazole Compound

Abstract

A new 1,2,3-thiadiazole compound was synthesized and characterized by ¹H NMR, MS and HRMS. The crystal structure of the title compound (C₁₂H₁₁ClN₂O₄S₂, Mr = 346.80) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P-1 with a = 8.4425(17) Å, b = 8.9801(18) Å, c = 9.859(2) Å, α = 84.36(3) °, β = 86.71(3)°, γ = 83.25(3)°, V = 737.9(3)ų, Z = 2, F(000) = 356, Dc = 1.561 g/cm³, μ = 0.557 mm⁻¹, the final R1 = 0.0380 and wR2 = 0.0982 for 2160 observed reflections with I > 2σ(I). A total of 12585 reflections were collected, of which 2601 were independent (Rint = 0.0364). The herbicidal activity of title compound was determined, the results showed the title compound displayed excellent herbicidal activity against Brassica campestris.