共晶
合成子
间苯二酚
化学计量学
三元运算
化学
组合化学
立体化学
有机化学
计算机科学
分子
氢键
程序设计语言
作者
Sourav Roy,Ruchi Gaur,Mithun Paul,Madhu Rajkumar,Gautam R. Desiraju
标识
DOI:10.1021/acs.cgd.2c01094
摘要
Higher cocrystal synthesis depends on precise strategic approaches. A total of 32 stoichiometric ternary and quaternary cocrystals based on resorcinol derivatives were achieved using structural inequivalence and shape-size mimicry approaches and are reported here. Along with 28 binary precursors that were also obtained, these 60 cocrystals serve to generalize synthetic strategies toward these ends. A number of large synthon Aufbau modules (LSAMs) were designed depending on the substitution pattern in the resorcinol. The LSAMs from 5-substituted resorcinol were found to be useful in designing higher cocrystals. The construction of a stoichiometric quaternary cocrystal without the "special"compound 2,3,5,6-tetramethylpyrazine has been finally secured. © 2022 American Chemical Society.
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