文献类型：期刊文献

英文题名：Preparation and characterization of several azoxystrobin channel solvates

作者：Du, Dan[1];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, Sch Pharm, Lab Pharmaceut Crystal Engn & Technol, 130 Meilong Rd, Shanghai 200237, Peoples R China

年份：2019

卷号：1189

起止页码：40

外文期刊名：JOURNAL OF MOLECULAR STRUCTURE

收录：;EI(收录号：20191606776470);WOS:【SCI-EXPANDED(收录号:WOS:000466710300005)】；

基金：This work was supported by National Key Research and Development Program of China (No. 2017YFD0200505), National Natural Science Foundation of China (No. 21706064), and Fundamental Research Funds for the Central Universities (No. 222201718004, No. 222201814049).

语种：英文

外文关键词：Azoxystrobin; Channel solvates; Isostructurality; Hirshfeld surface; Pseudopolymorph; Solvent-replacement method; Porosity

摘要：Azoxystrobin is an important strobilurins fungicide. Nine channel solvates of azoxystrobin were obtained for the first time and six of them could be crystallized in single crystals. The crystallographic data, unit cell porosity, Hirshfeld surface, and fingerprint plot were analyzed. These solvates are isostructural, azoxystrobin forming a host framework through intermolecular interaction and the guest solvent molecules located in channels. These solvates were stabilized by pi center dot center dot center dot pi interaction, C-H center dot center dot center dot pi interaction, and weak hydrogen-bonding interactions such as C-H center dot center dot center dot O interaction and C-H center dot center dot center dot C interaction. All solvates were characterized by PXRD, DSC, TG, FTIR, and FESEM, the stability of them were also examined. Moreover, because of the similarity of the channel solvates, solvent-replacement method could be used to prepare other solvates. (C) 2019 Elsevier B.V. All rights reserved.