Crystal Structure of (E)-3 Chloride Dihydrate

Abstract

In the title compound, C18H15ClN3O+center dot Cl-center dot 2H(2)O, three intramolecular hydrogen bonds are observed, N-H center dot center dot center dot O, O-H center dot center dot center dot Cl and O-H center dot center dot center dot O. In the crystal, molecules are connected by C-H center dot center dot center dot Cl and N-H center dot center dot center dot O hydrogen bonds. Strong C-H center dot center dot center dot Cl, N-H center dot center dot center dot O, O-H center dot center dot center dot Cl and O-H center dot center dot center dot O hydrogen-bonding interactions are implied by the Hirshfeld surface analysis, which indicate that H center dot center dot center dot H contacts make the largest contribution to the overall crystal packing at 33.0%.