Title of article :
Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-6-methyl-2-phenyl-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 , Nadirova, Maryana A. Department of Organic Chemistry - Peoples' Friendship University of Russia (RUDN University), Russian Federation , Chervyakova, Lala V. 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 , Shelukho, Evgeniya R. 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 :
In the title compound, C15H15Br2NO2, two bridged tetrahydrofuran rings adopt envelope conformations with the O atom as the flap. The pyrrolidine ring also adopts an envelope conformation with the spiro C atom as the flap. In the crystal, the molecules are linked into dimers by pairs of C—H⋯O hydrogen bonds, thus generating R22(18) rings. The crystal packing is dominated by H⋯H, Br⋯H, H⋯π and Br⋯π interactions. One of the Br atoms is disordered over two sites with occupation ratio of 0.833 (8):0.167 (8).
Keywords :
crystal structure , Hirshfeld surface analysis , epoxyisoindole moiety , tetrahydrofuran ring , pyrrolidine ring
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
