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首页> 外文期刊>Crystal growth & design >The Role of pi-Stacking in the Composition of Phloroglucinol and Phenazine Cocrystals
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The Role of pi-Stacking in the Composition of Phloroglucinol and Phenazine Cocrystals

机译:π-堆积在间苯三酚和吩嗪共晶体组成中的作用

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Cocrystallization of phloroglucinol (PHG) and phenazine (Phen) afforded cocrystals of 1: 1.5, 1:1.75, and 1:2 PHG center dot Phen stoichiometry upon grinding the two components in different starting ratios and then using suitable solvents for single crystal growth. The phenol center dot center dot center dot pyridine O-H center dot center dot center dot N synthon directs 1: 1.5 bimolecular organization of PHG and Phen molecules in pi-stacked motif (cocrystal 1). Additional phenazine molecules insert in the pi-stacks to give a higher proportion of the aromatic species in cocrystals 2 and 3 (1:1.75 and 1:2). A hydrate cocrystal of 1:2:1 composition (4) was also obtained. The pi-stack dimer motif of phenazine templated by the 1,3-(OH)(2) moiety of phloroglucinol at about van der Waals distance in these crystal structures is postulated to promote the crystallization of the beta-phenazine polymorph having a sandwich herringbone motif. These results suggest a role for cocrystal formers as hydrogen bond additives that favor and stabilize specific motifs for the crystallization of new polymorphs.
机译:将间苯三酚(PHG)和吩嗪(Phen)共结晶后,以不同的起始比例研磨两种组分,然后使用合适的溶剂进行单晶生长时,PHG中心点Phen化学计量为1:1.5、1:1.75和1:2。苯酚中心点中心点中心点吡啶O-H中心点中心点中心点N合成子指导pi堆积基序(共晶1)中PHG和Phen分子的1:1.5双分子组织。额外的吩嗪分子插入pi堆栈中,以在共晶2和3(1:1.75和1:2)中提供更高比例的芳族物质。还获得了1:2:1组成(4)的水合物共晶体。假定在这些晶体结构中以范德华距离大约为范德华距离的吩嗪的pi-stack二聚体基序由间苯三酚的1,3-(OH)(2)部分进行模板化主题。这些结果表明共晶形成剂作为氢键添加剂的作用,它们有助于并稳定新的多晶型物结晶的特定基序。

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