Switching polymorph stabilities with impurities provides a thermodynamic route to benzamide form III.
Switching polymorph stabilities with impurities provides a thermodynamic route to benzamide form III.
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DOI：
10.1038/s42004-021-00473-7
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发表时间：
2021-03-17
影响因子：
5.9
通讯作者：
Cruz-Cabeza, Aurora J.
中科院分区：
文献类型：
--
作者：
Kras, Weronika;Carletta, Andrea;Montis, Riccardo;Sullivan, Rachel A.;Cruz-Cabeza, Aurora J.
大约200年前，苯甲酰胺被报道为多晶型，其中两种形式（II和III）难以结晶。在最近的一项研究中，显示在烟酰胺存在下，使用机械化学，I型苯甲酰胺可以容易地转化为III型苯甲酰胺。在这里，我们表明，实验和计算，这种转变是这两种多晶型之间的热力学开关的结果驱动的固体溶液的形成与少量的烟酰胺。结晶环境中烟酰胺的存在促进了难以捉摸的III型的稳健且独特的结晶。这些结果代表了一个有前途的路线的合成和利用难以捉摸的多晶型物的药物利益。固溶体的形成可导致多晶型物相对稳定性的改变。在此，难以捉摸的苯甲酰胺的III型通过与烟酰胺形成固溶体来稳定。它示出，实验和计算，这样的热力学切换如何允许一致和容易结晶，否则难以捉摸的苯甲酰胺形式III。
Almost 200 years ago, benzamide was reported as polymorphic with two of its forms (II and III) found to be difficult to crystallise. In a recent study, it was shown that benzamide form I can easily convert into benzamide form III using mechanochemistry in the presence of nicotinamide. Here we show, experimentally and computationally, that this transformation is the result of a thermodynamic switch between these two polymorphic forms driven by the formation of solid solutions with small amounts of nicotinamide. The presence of nicotinamide in the crystallisation environment promotes the robust and exclusive crystallisation of the elusive form III. These results represent a promising route to the synthesis and utilisation of elusive polymorphs of pharmaceutical interest. The formation of solid solutions can result in changes of relative stabilities of crystal polymorphs. Here, the elusive form III of benzamide is stabilized through solid solution formation with nicotinamide. It is shown, experimentally and computationally, how such thermodynamic switching allows for consistent and facile crystallization of the otherwise elusive benzamide form III.
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