On modelling disordered crystal structures through restraints from molecule-in-cluster computations, and distinguishing static and dynamic disorder

Dittrich, B.

doi:10.1107/S2052252521000531

Figure 4
Displacement ellipsoid representations of the molecular structures of DL-arginine monohydrate [CSD refcode FUGXIO01, (a)] and 1-(2-bromo-3-{[tert-butyl(dimethyl)silyl]oxy} phenyl)-2,2-dimethylbut-3-en-1-yl 4-nitrobenzoate [CSD refcode IRUMAL, (b)], highlighting the disordered parts of the different conformations of the molecules in the disordered structures. The illustrations were generated with SHELXLE (Hübschle et al., 2011