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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
Volume 11| Part 5| September 2024| Pages 744-748
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524008121