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

IUCrJ

Lusi, M.¹  Khandavilli, U.B.R.² 

[1] Department of Chemical Science and Bernal Institute, University of Limerick, Limerick, Ireland;Synthesis and Solid State Pharmaceutical Centre (SSPC), University of Limerick, Limerick, Ireland

关键词: PLASTIC BENDING;    HYDRATES;    SINGLE-CRYSTAL TRANSFORMATIONS;   

DOI  :  10.1107/S2052252519004755

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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.

【 授权许可】

CC BY