Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-4,6-epoxy-1H-cyclopenta[c]pyridin-1-one

• Main Authors: Dmitriy F. Mertsalov, Nataliya S. Surina, Elena A. Sorokina, Sevim Türktekin Çelikesir, Mehmet Akkurt, Mikhail S. Grigoriev, Sixberth Mlowe
• Format: Article
• Language: English
• Published: International Union of Crystallography 2021-05-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; epoxyisoindole group; hydrogen bond; halogen bond; non-covalent interactions; hirshfeld surface analysis
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989021003273

The molecule of the title compound, C15H15Br2NO3, comprises a fused tricyclic system consisting of two five-membered rings (cyclopentane and tetrahydrofuran) and one six-membered ring (tetrahydropyridinone). Both five-membered rings of the tricyclic system have envelope conformations, and the conformation of the six-membered cycle is intermediate between chair and half-chair. In the crystal, the molecules are linked by C—H...O hydrogen bonds and C—H...π, C—Br...π and C...O interactions into double layers. The layers are connected into a three-dimensional network by van der Waals interactions.