Title of article :
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
Author/Authors :
Mertsalov,Dmitriy F. Department of Organic Chemistry - Peoples' Friendship University of Russia (RUDN University), Russian Federation , Zaytsev, Vladimir P. Department of Organic Chemistry - Peoples' Friendship University of Russia (RUDN University), Russian Federation , Pokazeev, Kuzma M. Department of Organic Chemistry - Peoples' Friendship University of Russia (RUDN University), Russian Federation , Grigoriev, Mikhail S. Frumkin Institute of Physical Chemistry and Electrochemistry - Russian Academy of Sciences, Russian Federation , Bachinsky, Alexander V. Department of Organic Chemistry - Peoples' Friendship University of Russia (RUDN University), Russian Federation , Çelikesir, Sevim Türktekin Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Akkurt, Mehmet Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Mlowe, Sixberth University of Dar es Salaam - Dar es Salaam University College of Education - Department of Chemistry,Tanzania
Abstract :
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.
Keywords :
Hirshfeld surface analysis , epoxyisoindole moiety , tetrahydrofuran ring , pyrrolidine ring , crystal structure
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
