Figure 4
Hirshfeld surface (HS) fingerprint plots calculated independently for molecules A and B. Panels (a) and (b) compare contacts between the whole of molecule A within its own Hirshfeld surface and hydrogen atoms outside the HS, and vice versa. Panels (c) and (d) show analogous contacts to oxygen atoms, (e) and (f) show the corresponding plots to nitrogen, while (g) and (h) show contacts to carbon. |