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Crystal structures and phase transformation of two novel solvates of valnemulin hydrochloride†
CrystEngComm ( IF 3.1 ) Pub Date : 2017-12-15 00:00:00 , DOI: 10.1039/c7ce01524k
Jinbo Ouyang 1, 2, 3, 4, 5 , Bing Na 1, 2, 3, 4, 5 , Limin Zhou 2, 3, 4, 5 , Saijin Xiao 2, 3, 4, 5 , Guoxuan Xiong 2, 3, 4, 5 , Tianxiang Jin 1, 2, 3, 4, 5
Affiliation  

Two novel solvates of valnemulin hydrochloride (VH), one is valnemulin hydrochloride water–ethanol solvate (VHWES) and the other is valnemulin hydrochloride water–methanol solvate (VHWMS), were first crystallized successfully. The structural and spectral characteristics of VHWES and VHWMS were studied by single crystal X-ray diffraction (SCXRD), Fourier transform infrared spectroscopy (FT-IR) and Raman spectroscopy. It was found that both solvates crystallized in the monoclinic system with a P2 space group, and comprised protonated ammonium moieties, hydrochloride anions, water molecules and solvent molecules (ethanol or methanol) which are held together by a number of hydrogen bonds. The thermal characterization of VHWES and VHWMS was conducted through DSC/TG analysis. The results indicated that both of them would undergo a solvent loss over a certain temperature range, and then return to their original amorphous form. The solution-mediated phase transformation from VH to VHWES was in situ investigated by using PVM and Raman spectroscopy, and the kinetic parameters of the transformation process were also determined. It was found that the nucleation of VHWES was the limiting step of the transformation process, and the transformation rate accelerated with increasing temperature.

中文翻译:

两种新型缬氨菌素盐酸盐溶剂化物的晶体结构和相变

首先成功地结晶了两种新型的缬氨姆林盐酸盐(VH)溶剂化物,一种是盐酸缬氨姆林水-乙醇溶剂化物(VHWES),另一种是盐酸缬氨姆林水-甲醇溶剂化物(VHWMS)。通过单晶X射线衍射(SCXRD),傅立叶变换红外光谱(FT-IR)和拉曼光谱研究了VHWES和VHWMS的结构和光谱特性。已发现两种溶剂化物在单斜晶系中均以P结晶2个空间群,由多个氢键结合在一起的质子化铵部分,盐酸盐阴离子,水分子和溶剂分子(乙醇或甲醇)组成。VHWES和VHWMS的热表征通过DSC / TG分析进行。结果表明,它们都将在一定温度范围内经历溶剂损失,然后返回其原始无定形形式。利用PVM和拉曼光谱对溶液介导的从VH到VHWES的相变进行了原位研究,并确定了转化过程的动力学参数。发现VHWES的成核作用是转变过程的限制步骤,并且随着温度的升高,转变速率加快。
更新日期:2017-12-15
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