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

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. © 2021.

Authors
Mertsalov D.F. 1 , Zaytsev V.P. 1 , Pokazeev K.M. 1 , Grigoriev M.S.2 , Bachinsky A.V. 1 , Çelikesir S.T.3 , Akkurt M.3 , Mlowe S.4
Publisher
International Union of Crystallography
Language
English
Pages
255-259
Status
Published
Volume
77
Year
2021
Organizations
  • 1 Department of Organic Chemistry, Peoples' Friendship University of Russia (RUDN University), 6 Miklukho-Maklaya St., Moscow, 117198, Russian Federation
  • 2 Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Leninsky pr. 31, bld. 4, Moscow, 119071, Russian Federation
  • 3 Department of Physics, Faculty of Sciences, Erciyes University, Kayseri, 38039, Turkey
  • 4 University of Dar es Salaam, Dar es Salaam University College of Education, Department of Chemistry, PO Box 2329, Dar es Salaam, Tanzania
Keywords
crystal structure; epoxyisoindole moiety; Hirshfeld surface analysis; pyrrolidine ring; tetrahydrofuran ring
Date of creation
20.07.2021
Date of change
20.07.2021
Short link
https://repository.rudn.ru/en/records/article/record/74117/
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