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Polymorphism and Modulation of Para-Substituted l-Phenylalanine
Crystal Growth & Design ( IF 3.8 ) Pub Date : 2017-11-17 00:00:00 , DOI: 10.1021/acs.cgd.7b00747
Leyla-Cann Sögütoglu 1 , Martin Lutz 2 , Hugo Meekes 1 , René de Gelder 1 , Elias Vlieg 1
Affiliation  

The crystal structure of para-methyl-l-phenylalanine at 230 K resembles that of the para-fluorinated analogue from the literature but is commensurately modulated with seven molecules in the asymmetric unit (Z′ = 7). At 100 K, the superstructure loses its modulation, leading to a unit cell with Z′ = 1, with clear disorder in the phenyl ring orientations. The methyl-substituent in para-methyl-l-phenylalanine has, in contrast to fluorine, no polar interactions with protons of neighboring molecules, which might allow for the well-defined modulation of the crystal structure at 230 K.

中文翻译:

对位取代的1-苯丙氨酸的多态性和调控

在230 K时,甲基-1-苯丙氨酸的晶体结构类似于文献中的对氟类似物的晶体结构,但在不对称单元中相应地被7个分子调制(Z '= 7)。在100 K时,上层结构失去了调节,导致Z '= 1的晶胞在苯环取向上明显无序。与氟相反,甲基-1-苯丙氨酸中的甲基取代基与相邻分子的质子无极性相互作用,这可能允许在230 K时对晶体结构进行明确定义的调节。
更新日期:2017-11-19
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