Title of article :
Crystal structure and Hirshfeld surface analysis of 3,4-dihydro-2H-anthra[1,2-b][1,4]dioxepine-8,13-dione
Author/Authors :
Zazouli, Sofia Laboratory of Sustainable Development - Sultan Moulay Slimane University - Faculty of Sciences and Technologies, Morocco , Chigr, Mohammed Laboratory of Organic and Analytical Chemistry - University Sultan Moulay Slimane - Faculty of Science and Technology, Morocco , Jouaiti, Ahmed Laboratory of Sustainable Development - Sultan Moulay Slimane University - Faculty of Sciences and Technologies, Morocco , Kyritsakas, Nathalie Molecular Tectonics Laboratory - Université de Strasbourg, France , Ketatni, El Mostafa Laboratory of Organic and Analytical Chemistry - University Sultan Moulay Slimane - Faculty of Science and Technology, Morocco
Abstract :
The title compound, C17H12O4, was synthesized from the dye alizarin. The dihedral angle between the mean plane of the anthraquinone ring system (r.m.s. deviation = 0.039 Å) and the dioxepine ring is 16.29 (8)°. In the crystal, the molecules are linked by C—H⋯O hydrogen bonds, forming sheets lying parallel to the ab plane. The sheets are connected through π–π and C=O⋯π interactions to generate a three-dimensional supramolecular network. Hirshfeld surface analysis was used to investigate intermolecular interactions in the solid-state: the most important contributions are from H⋯H (43.0%), H⋯O/O⋯H (27%), H⋯C/C⋯H (13.8%) and C⋯C (12.4%) contacts.
Keywords :
crystal structure , anthraquinone , Schiff base , Hirshfeld surface analysis
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
