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Figure 15
CSD searches performed for non-covalent intramolecular interactions involving (a) H⋯O hydrogen bonds belonging to S11(5) motifs, (b) H⋯O hydrogen bonds belonging to S11(6) motifs, (c) H⋯Br hydrogen bonds belonging to S11(5) motifs, (d) H⋯Br hydrogen bonds belonging to S11(6) motifs, (e) Ch⋯O chalcogen bonds (Ch = S, Se) belonging to S11(5) motifs with X = any atom, and (f) Ch⋯O chalcogen bonds (Ch = S, Se) belonging to S11(6) motifs with X = any atom. Dashed lines crossing the bonds represent bonds of any type (single, double, aromatic etc.). Geometric criteria used for the CSD search were: distances H⋯O/H⋯Br/Ch⋯O ≤ sum(vdW radii), angles ζ1 = ∠O—H⋯O/∠O—H⋯Br, ζ2 = ∠C=O⋯H/∠C=O⋯Br/∠C=O⋯Ch, ζ1A = ∠X—Ch⋯O and ζ1B = ∠C—Ch⋯O ranging from 60 to 180° (vdW radii = 1.20, 1.52, 1.80, 1.90 and 1.85 Å for H, O, S, Se and Br atoms, respectively).

IUCrJ
Volume 12| Part 3| May 2025|
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525001447