Figure 9
2D fingerprint plots for the individual H2Tnbpz molecules, reflecting the subtle structural changes seen upon progressive hydration: (a) anhydrate PITGEH; (b) H2Tnbpz·H2O PITGIL; (c) H2Tnbpz·4H2O, (1); (d) H2Tnbpz·5H2O, (2), and delineated into the principal contributions of O⋯O, O⋯N/N⋯O, O⋯H/H⋯O and N⋯H/H⋯N contacts. For details on the other contributors to the surface areas, see Table 6. |