Figure 2
Displacement ellipsoid representations of methyl (4-bromophenyl)(3-tert-butyl-1H-indol-1-yl)acetate, CSD refcode CAWWIJ, generated with SHELXLE (Hübschle et al., 2011). (a) The result of the original deposition, with residual-electron-density meshes (0.3 e Å−3 throughout) in green. (b) The outcome of a restrained (DFIX/DANG) refinement of the major component only, while (c) shows the result of a final restrained and additionally constrained (EADP) refinement. For (b), additional (highlighted) residual-density peaks for the disordered atoms from the second molecular orientation appear. |