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

• A new trichloridozincate compound, C6H15N2OZnCl3, was synthesized.
• The new compound can be described by inorganic layers built up by ZnCl3N anions.
• The crystal packing is ensured by hydrogen bonds.
• The Hirshfeld surface analysis reveals the percentage of intermolecular contacts of the title compound.
• This material was also investigated by IR, and CP-MAS NMR spectroscopies.

The synthesis, crystal structure and spectroscopic characterization of the novel 1-(2-hydroxyethyl)piperaziniumtrichlorozincate(II) zwitterionic complex are reported. In the atomic arrangement, the ZnCl3N 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 13C and 15N 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.

The Hirshfeld surface of the moieties present in the asymmetric unit of 1-(2-hydroxyethyl)piperaziniumtrichlorozincate(II).Figure optionsDownload as PowerPoint slide