Crystal structure and Hirshfeld surface analysis of 2-benzyl-4,5-dibromo-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1H-isoindol-1-one
oleh: Dmitriy F. Mertsalov, Vladimir P. Zaytsev, Kuzma M. Pokazeev, Mikhail S. Grigoriev, Alexander V. Bachinsky, Sevim Türktekin Çelikesir, Mehmet Akkurt, Sixberth Mlowe
| Format: | Article |
|---|---|
| Diterbitkan: | International Union of Crystallography 2021-03-01 |
Deskripsi
The title compound, C15H15Br2NO2, crystallizes with two molecules in the asymmetric unit of the unit cell. In both molecules, the tetrahydrofuran rings adopt an envelope conformation with the O atom as the flap and the pyrrolidine rings adopt an envelope conformation. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming sheets lying parallel to the (002) plane. These sheets are connected only by weak van der Waals interactions. The most important contributions to the surface contacts are from H...H (44.6%), Br...H/H...Br (24.1%), O...H/H...O (13.5%) and C...H/H...C (11.2%) interactions, as concluded from a Hirshfeld surface analysis.