Communications

Coordination-driven self-assembly of pentacopper metallamacrocycles with N-(3-hydroxy-2-methyl-4-oxopyridin-1-yl)isonicotinamide units for antimycobacterial activity

M. A. Katkova^a, R. V. Rumyantcev^a, G. S. Zabrodina^a, I. G. Fomina^b, O. B. Bekker^c, G. Yu. Zhigulin^a, S. Yu. Ketkov^a, I. L. Eremenko<sup>b

a</sup> G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, 603137 Nizhny Novgorod, Russian Federation
^b N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation
^c N. I. Vavilov Institute of General Genetics, Russian Academy of Sciences, 119333 Moscow, Russian Federation

Abstract: A new supramolecular complex consisting of a β-alaninehydroximate metallamacrocyclic cation and a metal–organic cuprate anion was obtained and characterized using X-ray diffraction analysis and DFT calculations. The unique 3D supramolecular assembly is formed due to the system of Cu···O and Cu···N intermolecular interactions. The cuprate structure indicates delocalization of the electron density in the pyridinone-isonicotinamide fragment, which may contribute to the detected enhanced antimycobacterial activity of the complex.

Keywords: supramolecular complex, copper, metallamacrocycle, β-alaninehydroximate, N-(3-hydroxy-2-methyl-4-oxopyridin-1-yl)isonicotinamide, X-ray structure, DFT calculations, biological activity.

Received: 16.07.2025
Accepted: 22.08.2025

Language: English

DOI: 10.71267/mencom.7874

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