Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Görbitz, Carl Henrik, Paulsen, Jan Christian, Borgersen, Jon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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
_version_ 1782375204258840576
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
work_keys_str_mv AT gorbitzcarlhenrik redeterminedcrystalstructureofbdlmethionineat320k
AT paulsenjanchristian redeterminedcrystalstructureofbdlmethionineat320k
AT borgersenjon redeterminedcrystalstructureofbdlmethionineat320k