Synthesis, Crystal Structures, Hirshfeld Surfaces,Thermo Characteristics and Solubility of Co-crysta

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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),with a =9.9733(8),b =10.3460(9),c =10.5739(12) (A),α =68.655(9),β =73.291(9),γ=66.738(8)°,V=920.34(17) (A)3,Mr =325.44,Dc =1.174 g/cm3,Z =2,F(000) =348,μ =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…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.
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