research papers
In a cobalt(II) complex incorporating 3,5-diphenyl-1H-pyrazole and chloride ligands, the supramolecular structure is supported by complementary hydrogen bonding between the pyrazole NH group and the chloride ligand of an adjacent molecule, yielding a ten-membered hydrogen-bonded ring. Density functional theory (DFT) simulations suggest that the chelate undergoes a degree of conformational distortion from the lowest-energy geometry to allow for optimal hydrogen bonding in the solid state.