Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{N- [(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate

• Autores: Molano, Miguel F.; Lorett Velasquez, Vaneza P.; Erben, Mauricio Federico; Nossa González, Diana L.; Loaiza, Alix E.; Echeverría, Gustavo Alberto; Piro, Oscar Enrique; Tobón, Yeny A.; Ben Tayeb, Karima; Gómez Castaño, Jovanny A.
• Año de publicación: 2020
• Idioma: inglés
• Tipo de recurso: artículo
• Materia: Química; Crystal structure; Copper(II); Five-coordinate complexes; Distorted square pyramid
• Institución: Universidad Nacional de La Plata

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 mol­ecule, form the irregular base of the pyramidal structure. Meanwhile, the apical chloride ligand inter­acts through a strong hydrogen bond with a water mol­ecule of crystallization. In the crystal, 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. The mol­ecular 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 inter­molecular inter­actions in the crystal packing.
Centro de Química Inorgánica
Instituto de Física La Plata