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Polymorphism and Modulation of Para-Substituted l-Phenylalanine

[Image: see text] 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 un...

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Detalles Bibliográficos
Autores principales: Sögütoglu, Leyla-Cann, Lutz, Martin, Meekes, Hugo, de Gelder, René, Vlieg, Elias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5721337/
https://www.ncbi.nlm.nih.gov/pubmed/29234239
http://dx.doi.org/10.1021/acs.cgd.7b00747
Descripción
Sumario:[Image: see text] 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.