Figure 7
Comparison of deformation density and Laplacian maps [Δρ(r) and ∇2ρ(r)] maps, obtained from SBFA (left) and theoretical calculations based on CRYSTAL09 (right), in O2—H2⋯N1 (a, b) and O1—H1⋯N2 (c, d) intermolecular space, respectively. Δρ(r) contours are drawn at ±0.05 e Å−3. ∇2ρ(r) (e Å−5) drawn in logarithmic scale. |