Abstract
The reaction of N-phenyl-1-(pyridin-2-yl)methanimine with copper chloride dihydrate produced the title neutral complex, [CuCl2(C12H10N2)(H2O)]·H2O. The CuII ion is five-coordinated in a distorted square-pyramidal geometry, in which the two N atoms of the bidentate Schiff base, as well as one chloro and a water mol-ecule, form the irregular base of the pyramidal structure. Meanwhile, the apical chloride ligand inter-acts through a strong hydrogen bond with a water mol-ecule of crystallization. In the crystal, mol-ecules are arranged in pairs, forming a stacking of symmetrical cyclic dimers that inter-act in turn through strong hydrogen bonds between the chloride ligands and both the coordinated and the crystallization water mol-ecules. The mol-ecular and electronic structures of the complex were also studied in detail using EPR (continuous and pulsed), FT-IR and Raman spectroscopy, as well as magnetization measurements. Likewise, Hirshfeld surface analysis was used to investigate the inter-molecular inter-actions in the crystal packing.
Highlights
The reaction of N-phenyl-1-(pyridin-2-yl)methanimine with copper chloride dihydrate produced the title neutral complex, [CuCl2(C12H10N2)(H2O)]ÁH2O
The apical chloride ligand interacts through a strong hydrogen bond with a water molecule of crystallization
Molecules are arranged in pairs, forming a stacking of symmetrical cyclic dimers that interact in turn through strong hydrogen bonds between the chloride ligands and both the coordinated and the crystallization water molecules
Summary
CuII ions coordinated by diimine N-donor ligands (–N C— C N–) are of great interest since they combine structural flexibility with other desired characteristics, such as ease of preparation, photophysical (Barwiolek et al, 2016) and photobiological (Banerjee et al, 2016) properties, and catalytic activity (Dias et al, 2010), as well as the capability to mimic active protein sites (Gupta & Sutar, 2008) and stabilize both metal oxidation states common in biological systems These complexes exhibit a broad spectrum of pharmacological properties including anti-inflammatory, antibacterial, antioxidant and antimetastatic (Chaviara et al, 2005) activities. Intramolecular C8—H6Á Á ÁCl2 and C5— H4Á Á ÁO1W hydrogen bonds occur (Table 2)
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