Preparation and characterization of several azoxystrobin channel solvates

• Published in: Journal of molecular structure Vol. 1189; pp. 40 - 50
• Main Authors: Du, Dan, Shi, Zhi-Ping, Ren, Guo-Bin, Qi, Ming-Hui, Li, Zhong, Xu, Xiao-Yong
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 05.08.2019
• Subjects: Azoxystrobin; Channel solvates; Hirshfeld surface; Isostructurality; Porosity; Pseudopolymorph; Solvent-replacement method; Channel solvates; Solvent-replacement method; Azoxystrobin; Pseudopolymorph; Porosity; Isostructurality; Hirshfeld surface
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2019.04.011

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 π⋅⋅⋅π interaction, CH⋅⋅⋅π interaction, and weak hydrogen-bonding interactions such as CH⋅⋅⋅O interaction and CH⋅⋅⋅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. [Display omitted] •Azoxystrobin is an important strobilurins fungicide.•Nine channel solvates of azoxystrobin were obtained.•Solvent-replacement method was used to prepare some solvates.•The crystallographic data, unit cell porosity, and Hirshfeld surface were analyzed.