The founding in 1965 of what is now called the Cambridge Structural Database (CSD) has
reaped dividends in numerous and diverse areas of chemical research. Each of the million …

Molecules that can tautomerize are a challenge to scientists because one must consider the
possible tautomers in most tasks involving chemical structures: for example, searching …

The occurrence of tautomeric polymorphism in the Cambridge Structural Database (CSD)
was established to be very rare in a previous study by AJ Cruz-Cabeza and CR Groom …

In this paper we present our reworked approach to generate ligand protonation states with
our structure preparation tool SPORES (Structure PrOtonation and REcognition System) …

Achieving reversible molecular crystal transformation between coordinate aggregates and
hydrogen bonded assemblies has been a challenging task because coordinate bonds are …

There is some confusion about concepts such as polymorphism, tautomerism, tautomeric
polymorphism, and desmotropy. This perspective review tries to clarify them by defining their …

There has been decades of research on determining and predicting acid dissociation
constants (p K a) and the tautomer ratios both experimentally and theoretically. However, the …

Warfarin, an important anticoagulant drug, can exist in solution in 40 distinct tautomeric
forms through both prototropic tautomerism and ring–chain tautomerism. We have …

Controlling molecular tautomerism through supramolecular selectivity - Chemical
Communications (RSC Publishing) DOI:10.1039/C3CC43935F Royal Society of Chemistry …

The structure and properties (crystallography, NMR, theoretical calculations) of the three N-
unsubstituted benzazoles (1H-benzimidazoles, 1H-and 2H-indazoles, 1H-and 2H …