A Hirshfeld surface analysis, crystal structure and physicochemical studies of zwitterionic complex: 1-(2-hydroxyethyl)piperaziniumtrichlorozincate (II).

The synthesis, crystal structure and spectroscopic characterization of the novel 1-(2-hydroxyethyl)piperaziniumtrichlorozincate(II) zwitterionic complex are reported. In the atomic arrangement, the ZnCl 3 N entities, grouped in pairs, are deployed in rows along the a -axis to form layers parallel to the ( a , c ) plane. The organic molecules are inserted between these layers through N-H…Cl, C-H…Cl, O-H…Cl and N-H…O hydrogen bonds to form infinite three-dimensional networks. Intermolecular interactions were investigated by Hirshfeld surfaces. The 13 C and 15 N CP-MAS NMR spectra are in agreement with the X-ray structure. The vibrational absorption bands were identified by infrared spectroscopy. DFT calculations allowed the attribution of the NMR peaks and of the IR bands. [ABSTRACT FROM AUTHOR]