Title of article
Crystal structure, Hirshfeld surface analysis and energy framework study of 6-formyl-7,8,9,11-tetrahydro-5H-pyrido[2,1-b]quinazolin-11-one
Author/Authors
Tojiboev, Akmal Arifov Institute of Ion-Plasma and Laser Technologies of Uzbekistan Academy of Sciences, Uzbekistan , Zhurakulov, Sherzod S. Yunusov Institute of Chemistry of Plant Substances - Academy of Sciences of Uzbekistan, Uzbekistan , Vinogradova, Valentina S. Yunusov Institute of Chemistry of Plant Substances - Academy of Sciences of Uzbekistan, Uzbekistan , Englert, Ulli Institute of Inorganic Chemistry - RWTH Aachen University, Germany , Wang, Ruimin Institute of Inorganic Chemistry - RWTH Aachen University, Germany
Pages
12
From page
1
To page
12
Abstract
At 100 K, the title compound, C13H12N2O2, crystallizes in the orthorhombic space group Pna21 with two very similar molecules in the asymmetric unit. An intramolecular N—H⋯O hydrogen bond leads to an S(6) graph-set motif in each of the molecules. Intermolecular π–π stacking and C=O⋯π interactions involving the aldehyde O atoms link molecules 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%) interactions. Energy framework calculations reveal a significant contribution of dispersion energy. The crystal studied was refined as a two-component inversion twin.
Keywords
crystal structure , Tricyclic quinazoline derivative , intramolecular N—H⋯O bond , π–π interactions , Hirshfeld surface analysis , energy frameworks
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2021
Record number
2622463
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