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Solvates of acotiamide hydrochloride: characterization and phase transformation

机译:Acotiamide盐酸盐的溶剂化物:表征和相变

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Five novel crystals of acotiamide hydrochloride (AH) with solvates dimethyl formide (DMF), dimethyl sulfoxide (DMSO), ethyl acetate (EA) and water (W) [1AH-1W-1DMF, 1AH-1DMSO-I, 1AH-1DMSO-II, 1AH-1W-1DMSO and 2AH-2DMSO-1EA] were characterized using single-crystal X-ray diffraction, powder X-ray diffraction, thermal analysis and Fourier transform infrared spectroscopy. The five crystals can be divided into four distinct structural types based on analysis of their similarities; 1AH-1W-1DMF and 1AH-1W-1DMSO are isostructural. The benzene rings in 1AH-1DMSO-I, 1AH-1DMSO-II and 2AH-2DMSO-1EA can rotate 180°, and the intramolecular hydrogen bond changes from an OH· · ·C=O bond to an NH· · ·OH bond relative to what is seen in 1AH-1W-1DMF and 1AH-1W-1DMSO. Phase transformation experiments show that a humidity-induced phase transformation is closely tied to moisture content.
机译:用溶剂化物盐酸盐(AH)的五种新晶体,溶剂化物二甲基甲酰胺(DMF),二甲基亚砜(DMSO),乙酸乙酯(EA)和水(W)[1AH-1W-1DMF,1AH-1DMSO-I,1AH-1DMSO- 使用单晶X射线衍射,粉末X射线衍射,热分析和傅里叶变换红外光谱,表征II,1AH-1W-1DMSO和2AH-2DMSO-1EA。 基于对其相似性的分析,五个晶体可以分为四种不同的结构类型; 1ah-1w-1dmf和1ah-1w-1dmso是isostrontural的。 1AH-1DMSO-I,1AH-1DMSO-II和2AH-2DMSO-1EA中的苯环可以旋转180°,分子内氢键从OH···C = O键变为NH···OH键 相对于1ah-1w-1dmf和1ah-1w-1dmso中所见的内容。 相变实验表明湿度诱导的相变与水分含量密切相关。

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