The crystal structure landscape of 4,4′,4″-(1,3,5-triazine-2,4,6-triyl)-triphenol (TTP) has been examined for its ability to form multicomponent cocrystals. TTP formed kinetic and thermodynamic polymorphic solvate structures and exhibited isosturcturality with different solvates. TTP afforded five different solvates, from four solvents, and a hydrate structure. The solvates are either kinetic or thermodynamic forms; isostructural with different solvents, and polymorphic with a single solvent. Learning from the solvate structures, the crystal engineering of cocrystals from TTP and aza-donors has been examined. The azadonors include 4,4-bipyridine, seven different bipyridines with varying linkers, 4-halopyridines, DABCO, and a di-imidazole. TTP readily formed five different types of cocrystals. The control over the desired cocrystal type can be achieved with control over stoichiometry and choice of solvent. At equimolar stoichiometry, TTP formed isostructural cocrystals in 1:0.5/1:1 ratio (Type-I), by exploiting mutual existence of phenol···phenol and phenol···triazine homosynthons, orthogonal halogen bonding in two cases, and phenol···pyridine heterosynthon, with a large number of diazadonors. Metastable hydrated polymorphs of cocrystals, with high Z′, were also isolated for a few cocrystals. Kinetic cocrystals (Type-II) were obtained with two coformers. THF templates the formation of a large hydrogen bonded ring, mediated by phenol···pyridine heterosynthon, between TTP and two diazadonors, at 1:1.5 stoichiometry (Type-III). At higher stoichiometry of 1:2.5, TTP stabilizes the formation of isostructural cocrystals of pentameric stacks of diazadonors, stabilized through phenol···pyridine and C–H···π heterosynthons (Type-IV). Water-tetramer-assisted hexameric stack was also obtained with an azadonor (Type-V). Overall, TTP resulted in a rich structural landscape of hydrate, solvates, polymorphism in solvates, cocrystals, metastage intermediates, solvates, and stoichiometric polymorphs with azadonors and afforded a general strategy to access a pentameric stack of specific azadonor aromatic molecules.

中文翻译：

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三酚的晶体结构景观：溶剂化物和共晶，以及五聚和六聚芳族化合物的多态性和同构性。

已经检查了4,4'，4''-（1,3,5-三嗪-2,4,6-三基）-三酚（TTP）的晶体结构，看其形成多组分共晶体的能力。TTP形成动力学和热力学的多晶型溶剂合物结构，并显示出具有不同溶剂合物的等规性。TTP从四种溶剂提供了五种不同的溶剂化物，并形成了水合物结构。溶剂化物是动力学形式或热力学形式。使用不同的溶剂进行同构，使用单一溶剂进行多态处理。从溶剂化物结构中学习，已经研究了来自TTP和氮杂供体的共晶体的晶体工程。氮杂氮酮包括4，4-联吡啶，七个具有不同接头的不同联吡啶，4-卤代吡啶，DABCO和二咪唑。TTP容易形成五种不同类型的共晶。可以通过控制化学计量和选择溶剂来实现对所需共晶类型的控制。在等摩尔化学计量下，TTP通过利用相互存在的苯酚，以1：0.5 / 1：1的比率（I型）形成同构共晶体...苯酚和苯酚···三嗪homosynthons，正交卤素接合在两种情况下，与苯酚...吡啶heterosynthon，具有大量diazadonors的。还分离出了一些高共晶的具有高Z '的亚稳水合多晶型物。用两个共形成物获得动力学共晶体（II型）。THF模板大的氢结合的环的形成中，通过介导的苯酚...吡啶heterosynthon，TTP和两个diazadonors，在1：1.5的化学计量（类型III）。以1更高的化学计量：2.5，TTP稳定diazadonors的五聚体叠层，通过苯酚稳定化的同构共晶体的形成...吡啶和C-H ···π杂合子（IV型）。还用氮杂多烯（-V）获得了水-四聚体辅助的六聚体叠层。总的来说，TTP导致了丰富的水合物，溶剂化物，溶剂化物，共晶体，中期中间体，溶剂化物和具有氮杂氮杂化物的化学计量多晶型物的多态结构，并提供了访问特定氮杂氮杂芳族分子五聚体的一般策略。