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首页> 外文期刊>Crystal growth & design >Structures of Polymorphic Agomelatine and Its Cocrystals with Acetic Acid and Ethylene Glycol
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Structures of Polymorphic Agomelatine and Its Cocrystals with Acetic Acid and Ethylene Glycol

机译：多晶型阿戈美拉汀及其与乙酸和乙二醇的共晶体的结构

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Two polymorphic structures of Form II and Form III of agomelatine were determined by single and powder X-ray diffraction, respectively, in which the agomelatine molecules are linked through the intermolecular hydrogen bonding interactions to form a one-dimensional (1D) chain, and the 1D chains are further packed through interchain π···π and C?H···π interactions to generate the three-dimensional (3D) structures. Two agomelatine cocrystals with acetic acid (1) and ethylene glycol (2) were synthesized, and their structures were determined by single and powder X-ray diffraction, respectively, in which the acetic acid molecules in 1 alternately link the agomelatine molecules to form 1D right-handed and left-handed helical chains, while the alternately linking of agomelatine molecules by ethylene glycol molecules in 2 generates the homochiral right-handed helical chains. After the formation of cocrystals of 1 and 2, the melting points dramatically decrease, and the solubility is approximately twice as large as that of Form II.
机译：阿戈美拉汀的II型和III型的两个多晶型结构分别通过单X射线和粉末X射线衍射确定，其中阿戈美拉汀分子通过分子间氢键相互作用连接形成一维（1D）链，并且一维链通过链间π···π和C→H···π相互作用进一步堆积，以生成三维（3D）结构。合成了分别与乙酸（1）和乙二醇（2）组成的两个阿戈美拉汀共晶体，分别通过单次和粉末X射线衍射确定了其结构，其中1中的乙酸分子交替连接阿戈美拉汀分子以形成1D右旋和左旋螺旋链，而阿戈美拉汀分子与乙二醇分子在2中的交替连接产生了同手性右旋螺旋链。在形成1和2的共晶体后，熔点急剧降低，溶解度大约是形式II的两倍。

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