|
Figure 3
(a) Comparison between the two independent molecules of σ showing their conformational similarity (RMSD = 0.5003 Å). The biggest difference comes from the torsion angle of the carboxyl groups. Overlaying all atoms except the carboxylic acid oxygens leads to RMSD = 0.125 Å. (b) Conformational comparison between one of the indomethacin molecules in σ with one of the independent molecules in the δ structure (RMSD = 0.392 Å). Similarly to (a), the difference comes from the torsion angle of the carboxyl groups. Overlaying all atoms except the carboxylic acid oxygens leads to RMSD = 0.153 Å. (c) Yellow graphics highlight the channels in the σ structure which suggest that solvent templating was the mechanism for formation. |
IUCrJ
ISSN: 2052-2525
ELECTRON CRYSTALLOGRAPHY
Open
access
![Open Access](/logos/open.png)