Synthesis, X-ray, Hirshfeld, and AIM Studies on Zn(II) and Cd(II) Complexes with Pyridine Ligands

Mezna Saleh Altowyan, Eman M. Fathalla, Dalia Hawas, Joerg H. Albering, Assem Barakat, Morsy A. M. Abu-Youssef*, Saied M. Soliman, Ahmed Kassem, Ahmed M. A. Badr

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


The synthesis and crystal structures of three heteroleptic complexes of Zn(II) and Cd(II) with pyridine ligands (ethyl nicotinate (EtNic), N,N-diethylnicotinamide (DiEtNA), and 2-amino-5-picoline (2Ampic) are presented. The complex [Zn(EtNic)2Cl2] (1) showed a distorted tetrahedral coordination geometry with two EtNic ligand units and two chloride ions as monodentate ligands. Complexes [Zn(DiEtNA)(H2O)4(SO4)]·H2O (2) and [Cd(OAc)2(2Ampic)2] (3) had hexa-coordinated Zn(II) and Cd(II) centers. In the former, the Zn(II) was coordinated with three different monodentate ligands, which were DiEtNA, H2O, and SO42−. In 3, the Cd(II) ion was coordinated with two bidentate acetate ions and two monodentate 2Ampic ligand units. The supramolecular structures of the three complexes were elucidated using Hirshfeld analysis. In 1, the most important interactions that governed the molecular packing were O···H (15.5–15.6%), Cl···H (13.6–13.8%), Cl···C (6.3%), and C···H (10.3–10.6%) contacts. For complexes 2 and 3, the H···H, O···H, and C···H contacts dominated. Their percentages were 50.2%, 41.2%, and 7.1%, respectively, for 2 and 57.1%, 19.6%, and 15.2%, respectively, for 3. Only in complex 3, weak π-π stacking interactions between the stacked pyridines were found. The Zn(II) natural charges were calculated using the DFT method to be 0.8775, 1.0559, and 1.2193 for complexes 1–3, respectively. A predominant closed-shell character for the Zn–Cl, Zn–N, Zn–O, Cd–O, and Cd–N bonds was also concluded from an atoms in molecules (AIM) study.
Original languageEnglish
Article number590
Number of pages17
Issue number5
Publication statusPublished - 22 May 2022


  • cadmium(II)
  • Hirshfeld
  • intermolecular interactions
  • pyridine-type ligand
  • X-ray
  • zinc(II)

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Organic Chemistry
  • Condensed Matter Physics
  • Chemical Engineering(all)
  • Materials Science(all)

Fields of Expertise

  • Advanced Materials Science


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