Crystal structure and Hirshfeld surface analysis of ethyl 2-[9-(2-hy-droxy-phen-yl)-3,3,6,6-tetra-methyl-1,8-dioxo-2,3,4,4a,5,6,7,8a,9,9a,10,10a-dodeca-hydro-acridin-10-yl]acetate

In the title compound, C H NO , a 3,3,6,6-tetra-methyl-tetra-hydro-acridine-1,8-dione ring system carries an ethyl acetate substituent on the acridine N atom and an -hy-droxy-phenyl ring on the central methine C atom of the di-hydro-pyridine ring. The benzene ring is inclined to the acridine ring sy...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2021-03, Vol.77 (Pt 3), p.247-250
Hauptverfasser: Allah, Omyma A A Abd, Kaur, Manpreet, Akkurt, Mehmet, Mohamed, Shaaban K, Jasinski, Jerry P, Elgarhy, Sahar M I
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Sprache:eng
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Zusammenfassung:In the title compound, C H NO , a 3,3,6,6-tetra-methyl-tetra-hydro-acridine-1,8-dione ring system carries an ethyl acetate substituent on the acridine N atom and an -hy-droxy-phenyl ring on the central methine C atom of the di-hydro-pyridine ring. The benzene ring is inclined to the acridine ring system at an angle of 80.45 (7)° and this conformation is stabilized by an intra-molecular O-H⋯O hydrogen bond between the hy-droxy substituent on the benzene ring and one of the carbonyl groups of the acridinedione unit. The ester C=O oxygen atom is disordered over major and minor orientations in a 0.777 (9):0.223 (9) ratio and the terminal -CH unit of the ethyl side chain is disordered over two sets of sites in a 0.725 (5): 0.275 (5) ratio. In the crystal, C-H⋯O hydrogen bonds combine to link the mol-ecules into a three-dimensional network. van der Waals H⋯H contacts contribute the most to the Hirshfeld surface (66.9%) followed by O⋯H/H⋯O (22.1%) contacts associated with weak hydrogen bonds.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989021001341