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ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity
Journal of the American Chemical Society ( IF 15.0 ) Pub Date : 2020-06-08 , DOI: 10.1021/jacs.0c04434
Alexandre Lévesque 1 , Thierry Maris 1 , James D Wuest 1
Affiliation  

Chemical compounds that exist in multiple crystalline forms are said to exhibit polymorphism. Polymorphs have the same composition, but their structures and properties can vary markedly. In many fields, conditions for crystallizing compounds of interest are screened exhaustively to generate as many polymorphs as possible, from which the most advantageous form can be selected. We report new ways to search for polymorphs and increase polymorphic diversity, based on crystallization induced by suitably designed mixed-crystal seeds. The potential of the strategy has been demonstrated by using it to produce new polymorphs of the benchmark compound ROY as single crystals structurally characterized by X-ray diffraction. This allows ROY to reclaim its crown as the most polymorphic compound in the Cambridge Structural Database. More generally, the methods promise to become valuable tools for polymorphic screening in all fields where crystalline solids are used.

中文翻译:

ROY 夺冠:增加多态多样性的新方法

以多种结晶形式存在的化合物据说表现出多晶型现象。多晶型物具有相同的组成,但它们的结构和特性可能会有很大差异。在许多领域中,对目标化合物的结晶条件进行了详尽筛选,以产生尽可能多的多晶型物,从中可以选择最有利的形式。我们报告了基于由适当设计的混合晶种诱导的结晶来寻找多晶型和增加多晶型多样性的新方法。该策略的潜力已通过使用它来生产基准化合物 ROY 的新多晶型物而得到证明,该多晶型物是通过 X 射线衍射进行结构表征的单晶。这使得 ROY 重新夺回其作为剑桥结构数据库中最多晶型化合物的桂冠。更普遍,
更新日期:2020-06-08
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