Crystal structure and Hirshfeld surface analysis of 2-benzyl-4,5-di-bromo-2,3,3a,4,5,6,7,7a-octa-hydro-3a,6-ep-oxy-1 H -isoindol-1-one

The title compound, C H Br NO , 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 ar...

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Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2021-03, Vol.77 (Pt 3), p.255
Main Authors: Mertsalov, Dmitriy F, Zaytsev, Vladimir P, Pokazeev, Kuzma M, Grigoriev, Mikhail S, Bachinsky, Alexander V, Çelikesir, Sevim Türktekin, Akkurt, Mehmet, Mlowe, Sixberth
Format: Article
Language:English
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Summary:The title compound, C H Br NO , 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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989021001481