[:pb]Authors: Low, J. N.; Wardell, J. L.; Da Costa, C. F.; De Souza, M. V. N.; Gomes, L. R.
Source: European Journal of Chemistry, v. 9, p. 151-160, 2018
Publisher: European Journal of Chemistry
Abstract
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.
Keywords: oximes, hydrogen bonds, X-ray crystallography, molecular interactions, heteroaryl compounds, Hirshfeld surface calculations
Document Type: Research Article
DOI: 10.5155/eurjchem.9.3.151-160.1734
Publication date: 2018
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