Crystal structure and Hirshfeld surface analysis of dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κN4)pyridine-κN]palladium(II) dimethylformamide monosolvate

Abstract

This study presents the synthesis, characterization and Hirshfeld surface analysis of the title mononuclear complex, [PdCl2(C12H14N4)]·C3H7NO. The compound crystalizes in the P21/c space group of the monoclinic system. The asymmetric unit contains one neutral complex Pd(HLc-Pe)Cl2 [HLc-Pe is 2-(3-cyclopentyl-1,2,4-triazol-5-yl)pyridine] and one molecule of DMF as a solvate. The Pd atom has a square-planar coordination. In the crystal, molecules are linked by intermolecular N—H...O and C—H...N hydrogen bonds, forming layers parallel to the bc plane. A Hirshfeld surface analysis showed that the H...H contacts dominate the crystal packing with a contribution of 41.4%. The contribution of the N...H/H...N and H...O/O...H interactions is somewhat smaller, amounting to 12.4% and 5%, respectively.

Keywords

• crystal structure
• palladium(ii)
• dichloropalladium
• 1,2,4-triazole
• hirshfeld surface analysis