Cocrystal Phase Diagrams, Cocrystalline Region Discovery, and DFT Study for Acetamiprid + Succinic Acid/ <scp>l</scp> -Tartaric Acid + Methanol/Ethanol/Isopropanol Systems

Cocrystal phase diagrams are useful for making cocrystal preparations and determining the starting composition point for the cooling/solution cocrystallization process. Herein, we used the isothermal saturation technique to determine the mutual solubilities of acetamiprid (ACE) + succinic acid (SU) + methanol/ethanol/isopropanol and acetamiprid (ACE) + l-tartaric acid (l-Tar) + methanol/ethanol/isopropanol systems at 298.15 K. Six cocrystal phase diagrams were constructed through the Schreinemaker wet residue method, and the cocrystal crystalline region of ACE with SU/l-Tar (ACE·SU/l-Tar, 1:1, mole ratio) was identified. The stability level of the ACE·l-Tar cocrystal is higher compared to that of the ACE·SU cocrystal. The mutual solubilities along the crystalline curves of ACE·SU/l-Tar cocrystals were correlated using the solution complex technique. Relative standard error has a maximum value of 5.52%. The hydrogen bonding and vdW forces are viewed as positive weak interactions when creating ACE·SU/l-Tar cocrystals. This assessment is based on an independent gradient model based on Hirshfeld partitions (IGMH), a 2D fingerprint plot, DFT analysis, and examination of the Hirshfeld surface. The cocrystal phase diagrams and their modeling can provide a powerful approach to designing cocrystal screening and to formulating solutions with cocrystal components where crystallization does not occur.