Citation: Liang MA, Qing-Zhao YAO, Yu-Ming ZHOU, Ming-Liang WANG, Bai-Wang SUN, Yi XUE, Chang GUO. Synthesis, Crystal Structures, Hirshfeld Surfaces, Thermo Characteristics and Solubility of Co-crystal of Buprofezin with Hydrofluoric Acid[J]. Chinese Journal of Structural Chemistry, ;2020, 39(3): 500-510. doi: 10.14102/j.cnki.0254–5861.2011–2569 shu

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

Liang MA ^a ,
Qing-Zhao YAO ^a ,
Yu-Ming ZHOU ^{a, c,,} ,
Ming-Liang WANG ^a ,
Bai-Wang SUN ^a ,
Yi XUE ^{a, b, c} ,
Chang GUO ^{a, c}

a.
School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, China
b.
Nanjing Red Sun Biochemical Co., Ltd., Nanjing 210000, China
c.
Southeast University Red Sun Research Center for Intelligent Industry, Nanjing 211189, China

Corresponding author: Yu-Ming ZHOU, fchem@163.com
Received Date: 12 August 2019
Accepted Date: 15 November 2019

Fund Project: the National Natural Science Foundation of China 51673040the Natural Science Foundation of Jiangsu Province BK20180366the Natural Science Foundation of Jiangsu Province BK20171357the Fundamental Research Funds for the Central Universities 2242019k30042Scientific Innovation Research Foundation of College Graduate in Jiangsu Province KYLX16_0266a Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions (PADA) 1107047002Fund Project for Transformation of Scientific and Technological Achievements of Jiangsu Province of China BA2018045

Figures(12)

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\begin{document}$ \overline 1 $\end{document}, with a = 9.9733(8), b = 10.3460(9), c = 10.5739(12) Å, α = 68.655(9), β = 73.291(9), γ = 66.738(8)º, V = 920.34(17) Å³, M_r = 325.44, D_c = 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.
- co-crystal,
- buprofezin,
- X-ray,
- thermal stability
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