Department of Medicinal Chemistry, School of Pharmacy, Chongqing Medical University, Chongqing 400016, China.
College of Environment and Resources, Chongqing Technology and Business University, Chongqing 400067, China.
Molecules. 2021 Jul 20;26(14):4377. doi: 10.3390/molecules26144377.
The formation of most multicomponent crystals relies on the interaction of hydrogen bonds between the components, so rational crystal design based on the expected hydrogen-bonded supramolecular synthons was employed to establish supramolecular compounds with desirable properties. This theory was put into practice for metformin to participate in more therapeutic fields to search for a fast and simple approach for the screening of candidate crystal co-formers. The prediction of intermolecular synthons facilitated the successful synthesis of a new multicomponent crystal of metformin (Met) and barbital (Bar) through an anion exchange reaction and cooling crystallization method. The single crystal X-ray diffraction analysis demonstrated the hydrogen bond-based ureide/ureide and guanidine/ureide synthons were responsible for the self-assembly of the primary structural motif and extended into infinite supramolecular heterocatemeric structures.
大多数多组分晶体的形成依赖于各组分之间氢键的相互作用，因此基于预期氢键超分子构筑基元的合理晶体设计被用于构建具有理想性质的超分子化合物。本理论应用于二甲双胍，旨在使其能参与更多的治疗领域，寻找一种快速、简单的方法来筛选候选的晶体共晶形成物。分子间构筑基元的预测促进了通过阴离子交换反应和冷却结晶法成功合成二甲双胍（Met）和巴比妥（Bar）的新的多组分晶体。单晶 X 射线衍射分析表明，基于氢键的脲/脲和胍基/脲构筑基元负责主要结构基元的自组装，并扩展为无限的超分子杂质同多聚体结构。
