Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates

The investigation of mechanical properties in molecular crystals is emerging as a novel area of interest in crystal engineering. Indeed, good mechanical properties are required to manufacture pharmaceutical and technologically relevant substances into usable products. In such endeavour, bendable sin...

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Bibliographic Details
Published in:IUCrJ 2019-07, Vol.6 (Pt 4), p.630-634
Main Authors: Khandavilli, U B Rao, Lusi, Matteo, Frawley, Patrick J
Format: Article
Language:English
Subjects:
Anisotropy
Anticonvulsants
Backup software
Crystal structure
Crystals
Drugs
Gabapentin
Hydrates
Mechanical engineering
Mechanical properties
Novels
plastic bending
Plastic properties
Pregabalin
Research Papers
Single crystals
single-crystal transformations
Surface active agents
Water
Zwitterions
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Summary:The investigation of mechanical properties in molecular crystals is emerging as a novel area of interest in crystal engineering. Indeed, good mechanical properties are required to manufacture pharmaceutical and technologically relevant substances into usable products. In such endeavour, bendable single crystals help to correlate microscopic structure to macroscopic properties for potential design. The hydrate forms of two anticonvulsant zwitterionic drugs, Pregabalin and Gabapentin, are two examples of crystalline materials that show macroscopic plasticity. The direct comparison of these structures with those of their anhydrous counterparts, which are brittle, suggests that the presence of water is critical for plasticity. In contrast, structural features such as molecular packing and anisotropic distribution of strong and weak interactions seem less important.
ISSN:2052-2525
2052-2525
DOI:10.1107/S2052252519004755