A binuclear Cd(II) complex containing bridging pyrimidine-based ligands

Samireh Hosseini, Zahra Mardani*, Keyvan Moeini, Cameron Carpenter-Warren, Alexandra M.Z. Slawin, J. Derek Woollins

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


In this work, a pyrimidine-based ligand, N′-(amino(pyrimidin-2-yl)methylene)pyrimidine-2-carbohydrazonamide hydrate (APPH · H2O), and its binuclear complex of cadmium, [Cd(μ-APPH)Br]2, 1, were prepared and identified by elemental analysis, FT-IR, 1H NMR spectroscopy as well as single-crystal X-ray diffraction. X-ray structure analysis of 1 revealed octahedrally coordinated cadmium centers with a CdN4Br2 environment containing two bridging APPH ligands; each APPH ligand acts as an N4-donor (N2-donor toward each cadmium atom) and forms two five-membered chelate rings that are approximately perpendicular to each other. In the network of 1, the N–H · · · Br hydrogen bonds form motifs such as R22(12, 14), R66(24, 26, …, 46). The crystal network is further stabilized by π-π stacking interactions between pyrimidine rings. The optimized structures of the ligand and complex were investigated along with their charge distribution patterns by density functional theory and natural bond orbital analysis, respectively.

Original languageEnglish
Article number6
Pages (from-to)287-293
JournalZeitschrift fur Naturforschung - Section B Journal of Chemical Sciences
Issue number3
Early online date4 Feb 2020
Publication statusPublished - 25 Feb 2020


  • Binuclear
  • Bromide
  • Cadmium(II) complex
  • DFT
  • Pyrimidine


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