Görbitz Carl Henrik
Department of Chemistry, University of Oslo, PO Box 1033 Blindern, N-0315 Oslo, Norway.
Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 15;70(Pt 11):341-3. doi: 10.1107/S1600536814022223. eCollection 2014 Nov 1.
Diffraction data were taken from the contribution named 'β-dl-Me-thio-nine 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.
衍射数据取自阿拉加尔等人发表的名为“105K下的β-dl-甲硫氨酸”的文献[《晶体学报》(2005年 ▶)。E61, o1165 - o1167]。对之前被限制在理想化几何构型的三个氨基氢原子的坐标进行精修后发现，氨基实际上从完全交错的取向旋转了13.5°。这一明显适度的变化对计算出的氢键几何构型有深远影响。
