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Preparation of Pyrazinamide Eutectics versus Cocrystals Based on Supramolecular Synthon Variations

机译:基于超分子综合变化的吡嗪酰胺酰胺的制备与Cocrystals

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摘要

Cocrystallization of the antituberculosis drug pyrazinamide (PZA) with several substituted aromatic carboxylic acids as coformers was studied. The combinations were analyzed by X-ray diffraction and melting behavior to assess the formation of eutectic versus cocrystal. Benzoic acid, cinnamic acid, and N-heterocycle coformers gave eutectics, whereas the majority of their hydroxyl/methoxy substitutes formed cocrystals with PZA. X-ray crystal structures were obtained for some cocrystals, and binary phase diagrams were constructed to determine eutectic compositions. Differences in functional group position and variations in supramolecular growth were found to dictate the formation of eutectics versus cocrystals. Supramolecular synthon energy calculations on selected combinations validated the formation of eutectic versus cocrystal.
机译:研究了用几种取代的芳族羧酸作为CoFormers的抗尿嘧啶吡嗪酰胺(PZA)的抗组合。 通过X射线衍射和熔化行为分析组合,以评估共晶与CoCrystal的形成。 苯甲酸,肉桂酸和N-杂环Coformers赋予了激光,而它们的大部分羟基/甲氧基替代物用PZA形成钴。 获得X射线晶体结构,用于一些酰基,构建二元相图以确定共晶组合物。 发现官能团定位的差异和超分子生长的变化决定了对共晶与钴的形成。 对所选组合的超分子合成能量计算验证了共晶与CoCrystal的形成。

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