A redetermination of the structure and Hirshfeld surface analysis of poly[di-aquadi-μ-hydroxido-tetra-kis-(μ-nicotinato N-oxide)tricopper(II)]

Acta Crystallogr E Crystallogr Commun. 2021 Feb 26;77(Pt 3):309-313. doi: 10.1107/S2056989021002000. eCollection 2021 Mar 1.

Abstract

The product obtained from the reaction of pyridine-2,3-di-carb-oxy-lic acid and hydrated copper(II) chloride in hot aqueous NaOH solution was determined by low temperature X-ray diffraction to be [Cu3(C6H4NO3)4(OH)2(H2O)2] n or [Cu3(μ-OH)2(μ-nicNO)4(H2O)2] n (nicNO is pyridine-3-carboxyl-ate N-oxide), a structure obtained from room temperature data and reported previously. The present determination is improved in quality and treatment of the H atoms. A Hirshfeld surface analysis of the inter-molecular inter-actions is presented.

Keywords: copper; crystal structure; hydrogen bond; nicotinic acid N-oxide.

Grants and funding

This work was funded by Tulane University grant .