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首页> 外文期刊>Crystal growth & design >Modification of the supramolecular hydrogen-bonding patterns of acetazolamide in the presence of different cocrystal formers: 3:1, 2:1, 1:1, and 1:2 cocrystals from screening with the structural isomers of hydroxybenzoic acids, aminobenzoic acids, hydroxybenzamides, aminobenzamides, nicotinic acids, nicotinamides, and 2,3-dihydroxybenzoic acids
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Modification of the supramolecular hydrogen-bonding patterns of acetazolamide in the presence of different cocrystal formers: 3:1, 2:1, 1:1, and 1:2 cocrystals from screening with the structural isomers of hydroxybenzoic acids, aminobenzoic acids, hydroxybenzamides, aminobenzamides, nicotinic acids, nicotinamides, and 2,3-dihydroxybenzoic acids

机译：通过与羟基苯甲酸，氨基苯甲酸，羟基苯甲酰胺的结构异构体筛选得到的不同共晶形成剂：3：1、2：1、1：1和1：2共晶存在下，对乙酰唑胺的超分子氢键模式进行修饰氨基苯甲酰胺，烟酸，烟酰胺和2,3-二羟基苯甲酸

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摘要

Acetazolamide (ACZ) has been combined via liquid-Assisted grinding in water with a library of cocrystal formers derived from benzoic and nicotinic acid, which provided novel cocrystals with 2-hydroxybenzamide, 2- aminobenzamide, picolinamide, and 2,3-dihydroxybenzoic acid. The cocrystalline phases were identified first by XRPD analysis and then structurally characterized by IR spectroscopy and single-crystal X-ray diffraction analysis. These cocrystals and the previously reported cocrystalline phases obtained from 4-hydroxybenzoic acid and nicotinamide constitute a series of six cocrystals of varied stoichiometric ratios (3:1, 2:1, 1:1, and 1:2), which allowed for a profound analysis of the structural and chemical factors that govern their formation. The structural analysis has shown that the ACZ molecules participate in the dominant hydrogen-bonding patterns within the crystal structures: Three cocrystal structures exhibit extended supramolecular aggregates of ACZ having channels, pores, or semispherical voids, in which the cocrystal formers are included as guest molecules, and can, therefore, be described as inclusion or clathrate complexes. One cocrystal can be considered as a pillared or intercalation compound, and the remaining two cocrystals are true two-component 2D or 3D networks. In addition, a variety of alternative preparative methods (liquidassisted grinding, neat grinding, reaction crystallization, solution-mediated phase transformation, and solution crystallization) have been employed, showing that four of the six cocrystals required the presence of water for successful cocrystal formation.
机译：乙酰唑胺（ACZ）已通过在水中的液体辅助研磨与衍生自苯甲酸和烟酸的共晶形成剂库进行了组合，该共晶形成剂库提供了与2-羟基苯甲酰胺，2-氨基苯甲酰胺，吡啶甲酰胺和2,3-二羟基苯甲酸的新型共晶体。共晶相首先通过XRPD分析鉴定，然后通过红外光谱和单晶X射线衍射分析进行结构表征。这些共晶体和先前报道的由4-羟基苯甲酸和烟酰胺获得的共晶体相构成了一系列六个化学计量比不同（3：1、2：1、1：1和1：2）的共晶体，这使得分析控制其形成的结构和化学因素。结构分析表明，ACZ分子参与了晶体结构内的主要氢键模式：三种共晶结构表现出具有通道，孔或半球形空隙的ACZ扩展超分子聚集体，其中共晶形成体作为客体分子被包括在内因此，可以描述为包含物或包合物。可以将一个共晶视为柱状化合物或插层化合物，其余两个共晶则是真正的两组分2D或3D网络。另外，已经采用了多种替代的制备方法（液体辅助研磨，纯净研磨，反应结晶，溶液介导的相变和溶液结晶），这表明六个共晶中的四个需要水的存在才能成功地形成共晶。

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