Cocrystals of indole-3-acetic acid and indole-3-butyric acid: Synthesis, structural characterization and Hirshfeld surface analysis

Add time:08/28/2019    Source:sciencedirect.com

A series of cocrystals and a salt of the indole-3-acetic acid (IAA) and indole-3-butyric acid (IBA) (plant hormone) with 2-aminopyrimidine (2AP), 2-amino-4,6-dimethylpyrimidine (2A-4,6-DMP) and 2,4,6-triaminopyrimidine (2,4,6-TAP) were successfully prepared, with an aim to explore the robustness of acid-aminopyrimidine synthon and its behaviour, with a change in the environment at 4,6 position of the pyrimidine ring. The formation of cocrystals/salt are examined on their ΔpKa values and were characterized by powder X-ray diffraction (PXRD), fourier transform infrared spectroscopy (FT-IR), differential scanning calorimetry (DSC) and their structures determined by single crystal X-ray diffraction (SCXRD). Additionally, Hirshfeld surface analysis was done to investigate the strength of the interactions and the overall percentage of short contacts and their impact on the overall packing.

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