A new kind of co-crystal of buprofezin(C(16)H(24)FN3OS) with hydrofluoric acid has been prepared through evaporation technique. It crystallizes in the triclinic space group P1, with a = 9.9733(8), b = 10.3460(9), c = ...A new kind of co-crystal of buprofezin(C(16)H(24)FN3OS) with hydrofluoric acid has been prepared through evaporation technique. It crystallizes in the triclinic space group P1, with a = 9.9733(8), b = 10.3460(9), c = 10.5739(12) ?, a = 68.655(9), b = 73.291(9), g = 66.738(8)o, V = 920.34(17) ?~3, Mr = 325.44, Dc = 1.174 g/cm^3, Z = 2, F(000) = 348, m = 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 twodimensional plane structure, and the intermolecular interactions of co-crystal are mainly H–F×××H, H–O×××H and H–O×××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.展开更多
基金supported by the National Natural Science Foundation of China(51673040)the Natural Science Foundation of Jiangsu Province(BK20180366,BK20171357)+3 种基金the Fundamental Research Funds for the Central Universities(2242019k30042)Scientific Innovation Research Foundation of College Graduate in Jiangsu Province(KYLX160266)a Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions(PADA)(1107047002)Fund Project for Transformation of Scientific and Technological Achievements of Jiangsu Province of China(BA2018045)。
文摘A new kind of co-crystal of buprofezin(C(16)H(24)FN3OS) with hydrofluoric acid has been prepared through evaporation technique. It crystallizes in the triclinic space group P1, with a = 9.9733(8), b = 10.3460(9), c = 10.5739(12) ?, a = 68.655(9), b = 73.291(9), g = 66.738(8)o, V = 920.34(17) ?~3, Mr = 325.44, Dc = 1.174 g/cm^3, Z = 2, F(000) = 348, m = 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 twodimensional plane structure, and the intermolecular interactions of co-crystal are mainly H–F×××H, H–O×××H and H–O×××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.
