| Literature DB >> 33953947 |
Dmitriy F Mertsalov1, Vladimir P Zaytsev1, Kuzma M Pokazeev1, Mikhail S Grigoriev2, Alexander V Bachinsky1, Sevim Türktekin Çelikesir3, Mehmet Akkurt3, Sixberth Mlowe4.
Abstract
The title compound, C15H15Br2NO2, crystallizes with two mol-ecules in the asymmetric unit of the unit cell. In both mol-ecules, the tetra-hydro-furan rings adopt an envelope conformation with the O atom as the flap and the pyrrolidine rings adopt an envelope conformation. In the crystal, mol-ecules 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 inter-actions. 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%) inter-actions, as concluded from a Hirshfeld surface analysis. © Mertsalov et al. 2021.Entities:
Keywords: Hirshfeld surface analysis; crystal structure; epoxyisoindole moiety; pyrrolidine ring; tetrahydrofuran ring
Year: 2021 PMID: 33953947 PMCID: PMC8061114 DOI: 10.1107/S2056989021001481
Source DB: PubMed Journal: Acta Crystallogr E Crystallogr Commun