Glycyl‐L‐alanine: a multi‐temperature neutron study

Neutron diffraction data have been collected at 12, 50, 150 and 295 K for the dipeptide glycyl‐L‐alanine, C₅H₁₀N₂O₃, in order to obtain accurate positional and anisotropic displacement parameters for the H atoms. The values of these parameters serve as a benchmark for assessing the equivalent parameters obtained from a so‐called Hirshfeld‐atom refinement of X‐ray diffraction data described elsewhere Capelli et al. (2014). IUCrJ, 1 , 361–379]. The flexibility of the glycyl‐L‐alanine molecule in the solid and the hydrogen‐bonding interactions as a function of temperature are also considered.