文献类型：期刊文献

英文题名：Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism

作者：Shi, Zhi-Ping[1];Ren, Guo-Bin[2];Qi, Ming-Hui[2];Li, Zhong[1];Xu, Xiao-Yong[1]

机构：[1]East China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab Chem Biol, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, State Key Lab Bioreactor Engn, Engn Res Ctr Pharmaceut Proc Chem,Sch Pharm, Minist Educ,Lab Pharmaceut Crystal Engn & Technol, 130 Meilong Rd, Shanghai 200237, Peoples R China

年份：2020

卷号：22

期号：22

起止页码：3863

外文期刊名：CRYSTENGCOMM

收录：;EI(收录号：20202408818149);WOS:【SCI-EXPANDED(收录号:WOS:000540811300014)】；

基金：The authors acknowledge support from the National Key Research Program of China (No. 2017YFD0200505), the National Natural Science Foundation of China (No. 21706064, No. 21776073), and the Fundamental Research Funds for the Central Universities (No. 222201814049). The authors are grateful to Dr. Yanli Wang for her advice on the molecular design.

语种：英文

外文关键词：Surface analysis - Single crystals - X ray diffraction - Set theory

摘要：Based on the reported isomorphism of azoxystrobin (AZO) solvates, five novel AZO solvates, including the dimethyl succinate solvate (AZO-DMS), ethyl butyrate solvate (AZO-EB), thiophene solvate (AZO-TP), furan solvate (AZO-FN), and 1,2-diethoxyethane solvate (AZO-DEE), were successfully designed and prepared experimentally. The single crystal structures of AZO-DMS and AZO-FN solvates were determined by single crystal X-ray diffraction. The properties of the five solvates were comprehensively characterized by powder X-ray diffraction and thermal analysis. The Hirshfeld surface analysis and intermolecular interactions of the AZO conformation in the crystal structures were investigated. This study demonstrates that the solvent molecular size is important for the formation of isomorphic AZO solvates.