Synthesis and Crystal Structure of Novel Ethyl 2-chloro-2-(4-(p-tolyl)-1,2,3-thiadiazol-5-yl)acetate

A new 1,2,3-thiadiazole compound was synthesized. The crystal structure of the title compound (C13H13ClN2O2S, Mr = 296.76) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P-1 with a = 6.903(2), b = 9.875(3), c = 10.903(4) Å, α = 75.217(5) °, β = 79.698(5) °, γ = 80.788(5)°, V = 701.9(4)Å3, Z = 2, F(000) = 308, Dc = 1.404 g/cm3, μ = 0.42 mm-1, the final R1 = 0.0324 and wR2 = 0.0823 for 2349 observed reflections with I > 2σ(I). A total of 4068 reflections were collected, of which 2842 were independent (Rint = 0.0146).

Jian-Chang Jin, Zhao-Hui Sun, Ming-Yan Yang, Na-Bo Sun, Jian-Zhong Jin and Hong-Ke Wu