Synthesis, Crystal Structures, Hirshfeld Surfaces, Thermo Characteristics and Solubility of Co-crystal of Buprofezin with Hydrofluoric Acid
作者：Ma, L (Ma Liang) [1] ; Yao, QZ (Yao Qing-Zhao) [1] ; Zhou, YM (Zhou Yu-Ming) [1] , [3] ; Wang, ML (W
關(guān)鍵字：co-crystalbuprofezinX-raythermal stability
論文來源：期刊
發(fā)表時(shí)間：2020年
A new kind of co-crystal of buprofezin (C16H24FN3OS) with hydrofluoric acid has been prepared through evaporation technique. It crystallizes in the triclinic space group P (1) over bar, with a = 9.9733(8), b = 10.3460(9), c = 10.5739(12) angstrom, alpha = 68.655(9), beta = 73.291(9), gamma = 66.738(8)degrees, V = 920.34(17) angstrom(3), M-r = 325.44, D-c = 1.174 g/cm(3), Z = 2, F(000) = 348, mu = 0.190 mm(-1), the final GOOF = 1.042, R = 0.0485 and wR = 0.1167. Single-crystal X-ray diffraction, XRPD, DSC, TGA, Hirshfeld surface analysis, Raman spectroscopy and FT-IR were used to characterize the co-crystal. It has a two-dimensional plane structure, and the intermolecular interactions of co-crystal are mainly H-F center dot center dot center dot H, H-O center dot center dot center dot H and H-O center dot center dot center dot H. Thermology study further confirmed that co-crystal has stronger thermal stability and higher melting point than buprofezin, and it has stronger water solubility. The results show that this co-crystal is valuable for the study of residual activity and application effects of buprofezin.