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首页> 外文期刊>Crystal growth & design >Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide
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Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide

机译：2-苯基丁酰胺和α-甲基-α-苯基琥珀酰亚胺的绝对构型和多态性

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摘要

Crystal structures of racemic and homochiral forms of 2-phenylbutyramide (1) and 3-methyl-3-phenylpyrrolidine-2,5-dione (2) were investigated in detail by a single crystal X-ray diffraction study. Absolute configurations of the homochiral forms of 1 and 2, obtained by chromatographic separation of racemates, were determined. It was revealed that racemate and homochiral forms of 1 are very similar in terms of supramolecular organization (H-bonded ribbons) in crystal, infrared (IR) spectral characteristics, and melting points. The presence of two different molecular conformations in homochiral forms of 1 allowed mimicking of crystal packing of the H-bonded ribbons in racemate 1. Two polymorph modifications (monoclinic and orthorhombic) comprising very similar H-bonded zigzag-like chains were found for the homochiral forms of compound 2 that were significantly different in terms of crystal structure, IR spectra, and melting points from the racemic form of 2. Unlike compound 1, homochiral forms of compound 2 have a higher density than the corresponding racemate which contradicts the Wallach rule and indicates that, in this case, homochiral forms are more stable than racemate forms.
机译：通过单晶X射线衍射研究详细研究了2-苯基丁酰胺（1）和3-甲基-3-苯基吡咯烷-2,5-二酮（2）的外消旋和同手性形式的晶体结构。测定了通过外消旋物的色谱分离获得的1和2同型手性形式的绝对构型。结果表明，在晶体，红外（IR）光谱特征和熔点方面，超分子组织（H键合带）的外消旋体和同手性形式非常相似。以1的同手性形式存在两种不同的分子构象，可以模拟外消旋体1中H键合带的晶体堆积。发现了两种非常相似的H键合之字形样链的多晶型修饰物（单斜晶和正交晶）在化合物的晶体结构，红外光谱和熔点方面，化合物2的形式与化合物2的外消旋形式明显不同。与化合物1不同，化合物2的手性形式的密度高于对应的外消旋体，这与Wallach规则和表明在这种情况下，同手性形式比外消旋形式更稳定。

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