Isostructural Levamisole Hydrochloride Ionic Cocrystal Solvates: High Z″ with a Low Melting Point

Levamisole hydrochloride cocrystallizes with hydroquinone in different solvates (methanol, ethanol, water, acetonitrile, and n-propanol), forming the changing Z″ cocrystal solvates from 23 to 3.33. These cocrystals were characterized by using single-crystal and powder X-ray diffraction and thermal a...

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Bibliographic Details
Published in:Crystal growth & design 2024-01, Vol.24 (1), p.554-566
Main Authors: Yao, Yi-chen, Jin, Zhe, Hong, Minghuang, Zhu, Bin, Ren, Guo-Bin, Qi, Ming-Hui
Format: Article
Language:English
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Summary:Levamisole hydrochloride cocrystallizes with hydroquinone in different solvates (methanol, ethanol, water, acetonitrile, and n-propanol), forming the changing Z″ cocrystal solvates from 23 to 3.33. These cocrystals were characterized by using single-crystal and powder X-ray diffraction and thermal analysis. All cocrystal solvates consist of different 2D planar sheets, which influence the Z″ value and melting point. The findings suggest a method for obtaining high Z crystals through suitable solvents. Topology analysis and Hirshfeld surface analysis were conducted to understand the Z″ transformation. Further, quantum chemistry was demonstrated as a significant tool to explain the extremely low melting point and the change of the melting point in different solid forms.
ISSN:1528-7483
1528-7505
DOI:10.1021/acs.cgd.3c01267