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首页> 外文期刊>Zeitschrift fur Anorganische und Allgemeine Chemie >Influence of cation size on the co-crystallisation of benzoic acid with different benzoates
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Influence of cation size on the co-crystallisation of benzoic acid with different benzoates

机译：阳离子尺寸对苯甲酸与不同苯甲酸酯共结晶的影响

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摘要

In the pharmaceutical industry many new active pharmaceutical ingredients (APIs) are marketed as carboxylic salts because of enhanced solubility and dissolution rates. These salts are, however, often hard to crystallise and/or exhibit a low degree of crystallinity. The reason may be the largely differing sizes of cation and anion. One way out of the resulting "coordination dilemma" is the formation of co-crystals of the salt with its neutral acid which delivers additional coordination sites for the cation. In this line, the crystal structure of a new co-crystal of benzoic acid (HBz) and lithium benzoate (LiBz) with composition 1HBz·1LiBz was determined and was compared to published ionic co-crystals of other alkali salts with respect to the structure determining criteria: coordination number of the cation, ratio of HBz:Bz -, mode of coordination of the carboxylic groups (mono- or bidentate), and connectivity (edge- or corner-sharing) between neighbouring polyhedra. The new crystal structure is closely related to form A of 2HBz·1NaBz. Both crystal structures contain dimers with shared edges which are further connected by bridging bidentate ligands to tapes.
机译：在制药工业中，由于提高了溶解度和溶解速度，许多新的活性药物成分（API）以羧酸盐的形式出售。然而，这些盐通常难以结晶和/或表现出低结晶度。原因可能是阳离子和阴离子的大小差异很大。解决所产生的“配位难题”的一种方法是形成盐与中性酸的共晶体，从而为阳离子提供其他配位点。在这一行中，确定了组成为1HBz·1LiBz的苯甲酸（HBz）和苯甲酸锂（LiBz）的新共晶体的晶体结构，并将其与已发表的其他碱金属盐离子共晶体进行了比较确定标准：阳离子的配位数，HBz：Bz的比例-，羧基的配位方式（单或二齿）和相邻多面体之间的连通性（边缘或角落共享）。新的晶体结构与2HBz·1NaBz的晶型A密切相关。两个晶体结构均包含具有共享边缘的二聚体，该二聚体通过将双齿配体桥接至带而进一步连接。

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