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Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
The thermally stable geometries of the smallest ligands in the studied series, calculated at the quantum-mechanical level of theory. Note that the bulky conformation of 3a is additionally stabilized by the intramolecular NH…O hydrogen bond. Both 3b and 3c exhibit hook-shaped structures.