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Redetermined crystal structure of β-dl-methionine at 320 K
The structure of β-dl-methionine, C(5)H(11)NO(2)S, in the space group C2/c, is here confirmed to be fully ordered all the way up to the phase transition at approximately 326 K, where displacive sliding of molecular bilayers gives the disordered P2(1)/c α form [data at 340 K; Görbitz (2014). Acta...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459326/ https://www.ncbi.nlm.nih.gov/pubmed/26090187 http://dx.doi.org/10.1107/S2056989015008749 |
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author | Görbitz, Carl Henrik Paulsen, Jan Christian Borgersen, Jon |
author_facet | Görbitz, Carl Henrik Paulsen, Jan Christian Borgersen, Jon |
author_sort | Görbitz, Carl Henrik |
collection | PubMed |
description | The structure of β-dl-methionine, C(5)H(11)NO(2)S, in the space group C2/c, is here confirmed to be fully ordered all the way up to the phase transition at approximately 326 K, where displacive sliding of molecular bilayers gives the disordered P2(1)/c α form [data at 340 K; Görbitz (2014). Acta Cryst. E70, 341–343]. The geometry of hydrogen bonds in LD–LD hydrogen-bonding patterns [Görbitz et al. (2009). Acta Cryst. B65, 393–400] at the hydrophilic core of each molecular bilayer are virtually unperturbed by the phase shift, but the C—C—S—C torsion angle of the side chain changes from trans at 320 K to gauche+ for the major conformation at 340 K. |
format | Online Article Text |
id | pubmed-4459326 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44593262015-06-18 Redetermined crystal structure of β-dl-methionine at 320 K Görbitz, Carl Henrik Paulsen, Jan Christian Borgersen, Jon Acta Crystallogr E Crystallogr Commun Data Reports The structure of β-dl-methionine, C(5)H(11)NO(2)S, in the space group C2/c, is here confirmed to be fully ordered all the way up to the phase transition at approximately 326 K, where displacive sliding of molecular bilayers gives the disordered P2(1)/c α form [data at 340 K; Görbitz (2014). Acta Cryst. E70, 341–343]. The geometry of hydrogen bonds in LD–LD hydrogen-bonding patterns [Görbitz et al. (2009). Acta Cryst. B65, 393–400] at the hydrophilic core of each molecular bilayer are virtually unperturbed by the phase shift, but the C—C—S—C torsion angle of the side chain changes from trans at 320 K to gauche+ for the major conformation at 340 K. International Union of Crystallography 2015-05-13 /pmc/articles/PMC4459326/ /pubmed/26090187 http://dx.doi.org/10.1107/S2056989015008749 Text en © Görbitz et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Görbitz, Carl Henrik Paulsen, Jan Christian Borgersen, Jon Redetermined crystal structure of β-dl-methionine at 320 K |
title | Redetermined crystal structure of β-dl-methionine at 320 K |
title_full | Redetermined crystal structure of β-dl-methionine at 320 K |
title_fullStr | Redetermined crystal structure of β-dl-methionine at 320 K |
title_full_unstemmed | Redetermined crystal structure of β-dl-methionine at 320 K |
title_short | Redetermined crystal structure of β-dl-methionine at 320 K |
title_sort | redetermined crystal structure of β-dl-methionine at 320 k |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459326/ https://www.ncbi.nlm.nih.gov/pubmed/26090187 http://dx.doi.org/10.1107/S2056989015008749 |
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