Synthesis, Crystal Structures, Hirshfeld Surfaces, Thermo Characteristics and Solubility of Co-crystal of Buprofezin with Hydrofluoric Acid  

作　　者：MA Liang YAO Qing-Zhao ZHOU Yu-Ming WANG Ming-Liang SUN Bai-Wang XUE Yi GUO Chang 马良;姚清照;周钰明;王明亮;孙柏旺;薛谊;郭畅(School of Chemistry and Chemical Engineering,Southeast University,Nanjing 211189,China;Nanjing Red Sun Biochemical Co.,Ltd.,Nanjing 210000,China;Southeast University Red Sun Research Center for Intelligent Industry,Nanjing 211189,China)

机构地区：[1]School of Chemistry and Chemical Engineering,Southeast University,Nanjing 211189,China [2]Nanjing Red Sun Biochemical Co.,Ltd.,Nanjing 210000,China [3]Southeast University Red Sun Research Center for Intelligent Industry,Nanjing 211189,China

出　　处：《Chinese Journal of Structural Chemistry》2020年第3期500-510,378,共12页结构化学（英文）

基　　金：supported by the National Natural Science Foundation of China(51673040);the Natural Science Foundation of Jiangsu Province(BK20180366,BK20171357);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)。

摘　　要：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.

关 键 词：CO-CRYSTAL BUPROFEZIN X-RAY thermal stability 

分 类 号：TQ450.1[化学工程—农药化工]