Title and Overview

Assessing the likelihood of polymorphism through Hydrogen bond capabilities Examine possible donor/acceptor pairings of functional groups with a view to assessing the likelihood of polymorphism.

Designing a New Multi-Component API Form Based on a Known Structure Use knowledge of one or more existing forms to design new multi-component crystalline forms of an API.

Validation of Experimental Crystal structures Validate crystal structures by analysing both molecular geometry and intermolecular packing.

Solving the powder pattern of Verapamil hydrochloride See how the application of real information on inter- and intramolecular geometry can be used to aid structure solution from powder diffraction data using DASH.

Filtering and analysing the results of crystal structure prediction See how the Materials module of Mercury can be used to filter the results of crystal structure prediction calculations and assess whether any results match experimentally determined solid forms.

Exploring symmetry related bias in conformational data from the Cambridge Structural Database: A rare phenomenon? In some well known cases, the close packing observed within crystal structures can significantly bias the observed conformations away from gas phase norms. Read about how symmetry effects are primarily responsible for this effect in selected substructures.