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Figure 14
Maps and topological CPs of the function L(r) [= −∇2ρ(r)] for (a) IDT and (b) PCP. CC sites correspond to (3,−3) CPs (yellow) for O and Cl atoms, CD sites correspond to either (3,+3) (violet) CPs for H atoms, or (3,−1) (dark green) CPs for H and I atoms. Intermolecular HB and XB interactions (Xδ+⋯δ−O, with X = H, I) are shown with their bond paths (dotted lines) and the corresponding BCPs (small light-green circles) between the interacting atoms. Planes are defined by the interacting atoms in (a) and by the CPs of L(r) focused on in (b).

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