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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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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
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author Sögütoglu, Leyla-Cann
Lutz, Martin
Meekes, Hugo
de Gelder, René
Vlieg, Elias
author_facet Sögütoglu, Leyla-Cann
Lutz, Martin
Meekes, Hugo
de Gelder, René
Vlieg, Elias
author_sort Sögütoglu, Leyla-Cann
collection PubMed
description [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.
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spelling pubmed-57213372017-12-10 Polymorphism and Modulation of Para-Substituted l-Phenylalanine Sögütoglu, Leyla-Cann Lutz, Martin Meekes, Hugo de Gelder, René Vlieg, Elias Cryst Growth Des [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. American Chemical Society 2017-11-08 2017-12-06 /pmc/articles/PMC5721337/ /pubmed/29234239 http://dx.doi.org/10.1021/acs.cgd.7b00747 Text en Copyright © 2017 American Chemical Society This is an open access article published under a Creative Commons Non-Commercial No Derivative Works (CC-BY-NC-ND) Attribution License (http://pubs.acs.org/page/policy/authorchoice_ccbyncnd_termsofuse.html) , which permits copying and redistribution of the article, and creation of adaptations, all for non-commercial purposes.
spellingShingle Sögütoglu, Leyla-Cann
Lutz, Martin
Meekes, Hugo
de Gelder, René
Vlieg, Elias
Polymorphism and Modulation of Para-Substituted l-Phenylalanine
title Polymorphism and Modulation of Para-Substituted l-Phenylalanine
title_full Polymorphism and Modulation of Para-Substituted l-Phenylalanine
title_fullStr Polymorphism and Modulation of Para-Substituted l-Phenylalanine
title_full_unstemmed Polymorphism and Modulation of Para-Substituted l-Phenylalanine
title_short Polymorphism and Modulation of Para-Substituted l-Phenylalanine
title_sort polymorphism and modulation of para-substituted l-phenylalanine
url 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
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