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
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.77, pp.237-246, 2021 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 77
- Publication Date: 2021
- Doi Number: 10.1107/s205698902100116x
- Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.237-246
- Erciyes University Affiliated: Yes
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).