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Hydrates and Solvates of Acotiamide Hydrochloride: Crystallization, Structure, Stability, and Solubility
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2018-12-27 00:00:00 , DOI: 10.1021/acs.cgd.8b01360 Guoshun Zhang 1 , Xiaoyang Xiao 1 , Lifeng Zhang 1 , Guolian Ren 1 , Shuqiu Zhang 1
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2018-12-27 00:00:00 , DOI: 10.1021/acs.cgd.8b01360 Guoshun Zhang 1 , Xiaoyang Xiao 1 , Lifeng Zhang 1 , Guolian Ren 1 , Shuqiu Zhang 1
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This paper elucidated eight crystal structures of acotiamide hydrochloride (AH) via single-crystal X-ray diffraction (SCXRD) with water (1AH-1W-I, 1AH-3W), methanol (1AH-1M), methanol and water (1AH-1W-1M-I, 1AH-1W-1M-II), ethanol (1AH-1E), ethanol and water (1AH-1W-1E), and n-propanol (1AH-1P). Two influencing factors, water content and solvent type, were investigated for their effects on the formation of distinct hydrates and solvates. In addition, the stability and solubility of these solid phase forms were analyzed based on their structures. The results of SCXRD revealed that AH tends to crystallize together with a solvent as both a hydrogen bond donor and acceptor. The control experiments in methanol–water, ethanol–water, n-propanol–water, and acetone–water systems showed that the final crystal form varied with an increase in the water content. The eight crystals fall into three types based on their spatial stacking, corresponding interestingly to different stability and solubility. Furthermore, the relationship between changes in solubility curves and the solid phase forms of the undissolved samples was preliminarily elucidated.
中文翻译：
乙酰甲酰胺盐酸盐的水合物和溶剂化物：结晶，结构，稳定性和溶解性
本文通过水（1AH-1W-I，1AH-3W），甲醇（1AH-1M），甲醇和水（1AH- 1W-1M-1、1AH-1W-1M-II，乙醇（1AH-1E），乙醇和水（1AH-1W-1E）和正丙醇（1AH-1P）。研究了两个影响因素，即水含量和溶剂类型对不同水合物和溶剂化物形成的影响。另外，基于它们的结构分析了这些固相形式的稳定性和溶解性。SCXRD的结果表明，AH倾向于与作为氢键供体和受体的溶剂一起结晶。在甲醇-水，乙醇-水，n中的控制实验丙醇-水和丙酮-水系统显示最终晶体形式随水含量的增加而变化。八种晶体根据它们的空间堆积而分为三种类型，有趣的是它们对应于不同的稳定性和溶解性。此外，初步阐明了溶解度曲线的变化与未溶解样品的固相形式之间的关系。
更新日期：2018-12-27
中文翻译：
乙酰甲酰胺盐酸盐的水合物和溶剂化物：结晶，结构，稳定性和溶解性
本文通过水（1AH-1W-I，1AH-3W），甲醇（1AH-1M），甲醇和水（1AH- 1W-1M-1、1AH-1W-1M-II，乙醇（1AH-1E），乙醇和水（1AH-1W-1E）和正丙醇（1AH-1P）。研究了两个影响因素，即水含量和溶剂类型对不同水合物和溶剂化物形成的影响。另外，基于它们的结构分析了这些固相形式的稳定性和溶解性。SCXRD的结果表明，AH倾向于与作为氢键供体和受体的溶剂一起结晶。在甲醇-水，乙醇-水，n中的控制实验丙醇-水和丙酮-水系统显示最终晶体形式随水含量的增加而变化。八种晶体根据它们的空间堆积而分为三种类型，有趣的是它们对应于不同的稳定性和溶解性。此外，初步阐明了溶解度曲线的变化与未溶解样品的固相形式之间的关系。
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