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


Mertsalov D. F. , Nadirova M. A. , Chervyakova L., Grigoriev M. S. , Shelukho E. R. , TÜRKTEKİN ÇELİKESİR S. , ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.77, pp.237-246, 2021 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 77
  • Publication Date: 2021
  • Doi Number: 10.1107/s205698902100116x
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Page Numbers: pp.237-246

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 center dot center dot center dot O hydrogen bonds, thus generating R-2(2)(18) rings. The crystal packing is dominated by H center dot center dot center dot H, Br center dot center dot center dot H, H center dot center dot center dot pi and Br center dot center dot center dot pi interactions. One of the Br atoms is disordered over two sites with occupation ratio of 0.833 (8):0.167 (8).