Redetermined structure of β-dl-methionine at 105 K: an example of the importance of freely refining the positions of the amino-group H atoms

Acta Crystallographica Section E

Carl Henrik Görbitz¹ 

[1] Department of Chemistry, University of Oslo, PO Box 1033 Blindern, N-0315 Oslo, Norway;

关键词: hydrogen-bond geometry;    amino group;    refinement model;    β-DL-methionine;    crystal structure;   

DOI  :  10.1107/S1600536814022223

来源: DOAJ

【 摘 要 】

Diffraction data were taken from the contribution named `β-dl-Methionine at 105 K′ by Alagar et al. [Acta Cryst. (2005). E61, o1165–o1167]. Refinement of the coordinates of the three amino H atoms, previously constrained to an idealized geometry, shows that the amino group is in fact rotated 13.5° from the perfectly staggered orientation. This apparently modest change has a profound impact on the calculated hydrogen-bond geometries.

【 授权许可】

Unknown