Corannulene crystal packing

The crystal structure of the first buckybowl, corannulene 1, was reported in 1971 [24]. It shows the noncolumnar crystal packing structure where the CH-Jt interaction rather than the Jt—Jt stacking interaction is the main factor... 

Fig. 14.15. Lattice energies of computational crystal structures for corannulene carboxylic acid. Each point in the graph corresponds to a separately optimized crystal structure. Volumes in and energies in kJ mol . Structures in the upper cluster with energies above—165 kJ mol are closely packed with aromatic ring stacking but are without hydrogen bonds.

Fig. 14.16. Packing diagrams for computational crystal structures of corannulene carboxylic acid, 4. In the PI structure the hydrogen bond cannot be seen in the other diagrams, oxygen...

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