At 100 K, the title compound, CHNO, crystallizes in the ortho-rhom-bic space group 2 with two very similar mol-ecules in the asymmetric unit. An intra-molecular N-H⋯O hydrogen bond leads to an (6) graph-set motif in each of the mol-ecules. Inter-molecular π-π stacking and C=O⋯π inter-actions involving the aldehyde O atoms link mol-ecules into stacks parallel to [100]. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing stem from H⋯H (49.4%) and H⋯O/O⋯H (21.5%) inter-actions. Energy framework calculations reveal a significant contribution of dispersion energy. The crystal studied was refined as a two-component inversion twin.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7784053 | PMC |
http://dx.doi.org/10.1107/S2056989020016059 | DOI Listing |
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