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. , ...Daha Fazla

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.77, ss.237-246, 2021 (ESCI İndekslerine Giren Dergi) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 77
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1107/s205698902100116x
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Sayfa Sayıları: ss.237-246

Özet

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).