Illustrating the steps of Crystal Math for aspirin: The procedure starts with a simple molecular diagram of the compound, information from this diagram is fed into the equations of Crystal Math ...

For instance, the crystal structure of aspirin was analyzed, revealing significant hydrogen bonding and π···π interactions that contribute to its stability[1]. Similarly, a novel coumarin ...

They then built these principles into a set of equations whose solutions can now be used to predict molecular crystal structures not found in the database. Common pharmaceuticals such as aspirin ...