Figure 7
(a) The NCI plot highlighting the O⋯Cl and C⋯Cl contacts between 4LH2-I and CBA-I molecules, showing the weak, but attractive interactions through the green domain and (b) the two-dimensional reduced density gradient versus the electron density times the sign of the second Hessian eigenvalue which reveals the overall contact profile of the pairwise molecules. The gradient cut-off is set at 0.4 and the colour scale is −0.25 < ρ < 0.25 a.u. |