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Figure 18
Maps and topological CPs of the function L(r) [= −∇2ρ(r)] for (a) H⋯Br in PBP, (b) Se⋯O and H⋯C in AHEQIN and (c) Br⋯O and C⋯Br in GOHJAQ. CC sites correspond to (3,−3) CPs (yellow) for O and Br atoms and to (3,−1) CPs (dark green) for the C atom; CD sites correspond to (3,+1) (pink) and (3,−1) CPs (dark green) for H atoms, (3,+1) CPs (pink) for the C atom, (3,−1) CPs (dark green) for the Se atom and (3,+1) CPs (pink) for the Br atom. Intramolecular HB, ChB, XB and TrB interactions [X(δ+)⋯(δ−)Y with X = H, Se, Br; Y = O, Br] are shown with their bond paths (dotted lines) and their corresponding BCPs (small light-green circles) between the interacting atoms.

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