Crystal structure and Hirshfeld surface analysis of dimethyl 3-methyl-8-{[4-(trifluoromethyl)phenyl]sulfonyl}-7,8-dihydro-4H-4,6a-epoxybenzo[b]naphtho[1,8-de]azepine-5,6-dicarboxylate

Crystal structure and Hirshfeld surface analysis of dimethyl 3-methyl-8-{[4-(trifluoromethyl)phenyl]sulfonyl}-7,8-dihydro-4H-4,6a-epoxybenzo[b]naphtho[1,8-de]azepine-5,6-dicarboxylate

The molecular conformation of the title compound, C29H22F3NO7S, is stable due to the intramolecular C—H...O hydrogen bonds. The central seven-membered ring adopts a distorted chair form. In the 7-oxabicyclo[2.2.1]hepta-2,5-diene unit, the five-membered rings adopt envelope conformations. In the crys...

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Bibliographic Details
Main Authors: Gleb M. Burkin, Selbi Annadurdyyeva, Alexandra G. Kutasevich, Narmina A. Guliyeva, Khudayar I. Hasanov, Mehmet Akkurt, Gizachew Mulugeta Manahelohe
Format: Article
Language:English
Published: International Union of Crystallography 2025-06-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
disorder
acylation
furan
sulfonamide
4+2 cycloaddition
weak interactions
hirshfeld surface analysis
Online Access:https://journals.iucr.org/paper?S2056989025004426
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