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Structural study of three heteroaryl oximes, heteroaryl-N=OH: Compounds forming strong C3 molecular chains Low, John Nicolson Wardell, James Lewis da Costa, Cristiane Franca Souza, Marcus Vicinius Nora Gomes, Ligia Rebelo Oximes Hydrogen bonds X-ray crystallography Molecular interactions Heteroaryl compounds Hirshfeld surface calculations In order to further investigate the structural chemistry of oximes and to further establish the main structural arrangements adopted, we have determined the crystal structure of and carried out Hirshfeld surface calculations on three heteroaryl oximes, namely (Z)-thiophene-2-carbaldehyde oxime (1), (Z)-1H-pyrrole-2 carbaldehyde oxime (2) and (Z)-5-nitrofuran-2-carbaldehyde oxime (3). As confirmed by both techniques, the major intermolecular interactions in each compound are classical N—H···O hydrogen bonds, which link the molecules into C3 chains. Such an arrangement has been previous reported as an important aggregation mode for oximes. Secondary interactions, C—H···π and C—H···O interactions, in compounds 1 and 2, and interactions involving the nitro group oxygen atoms in compound 3 link the chains into three dimensional arrays. Atlanta Publishing House LLC 2018-09-30 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion application/pdf text/plain text/plain text/plain https://www.eurjchem.com/index.php/eurjchem/article/view/1734 10.5155/eurjchem.9.3.151-160.1734 European Journal of Chemistry; Vol. 9 No. 3 (2018): September 2018; 151-160 2153-2257 2153-2249 eng https://www.eurjchem.com/index.php/eurjchem/article/view/1734/pdf_1734 https://www.eurjchem.com/index.php/eurjchem/article/view/1734/2609 https://www.eurjchem.com/index.php/eurjchem/article/view/1734/2613 https://www.eurjchem.com/index.php/eurjchem/article/view/1734/2614 Copyright (c) 2018 Authors