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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...

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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
Descripción
Sumario: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.