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Control and Prediction of the Organic Solid State

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Imidazole

Imidazole was studied by Antonio Torissi during the first year of his PhD The structure is known, and first published in...... The theoretical search gave the lattice energy/density plot shown below.

Insert density/energy plot for imidazole

The energy gap between the second lowest energy hypothetical crystal structure and the global minimum is ...... The experimental work was not repeated.

This is an example of a case where predictions based on lattice energy minimisation calculations alone successfully reveal the known experimental structure. It may be concluded that no other polymorphs of imidazole will be formed.

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