Synthesis and crystal structure analysis of (3a RS ,6 RS ,7a RS )- N -(4-bromophenyl)-1,6,7,7a-tetrahydro-3a,6-epoxyisoindole-2(3 H )-carboselenoamide
Abstract
The asymmetric unit of the title compound, C 15 H 15 BrN 2 OSe, contains two crystallographically independent molecules in which the cyclohexene and pyrrole rings are in boat and envelope conformations, respectively. In the crystal, C—H...O and N–H...Se hydrogen bonds link the molecules into [100] chains, enclosing R 2 2 (20), R 3 3 (18) and R 4 4 (4) ring motifs. C—H...π(ring) interactions help to consolidate the packing. Hirshfeld surface analysis revealed that the most important contributions to the crystal packing are from H...H, H...C/C...H, H...Br/Br...H and H...Se/Se...H interactions.
Fields of Study & Subjects
Synthesis and Characterization of Pyrroles
Synthesis and pharmacology of benzodiazepine derivatives
Coordination Chemistry and Organometallics
Publication details
- Journal / source
- Acta Crystallographica Section E Crystallographic Communications
- Publisher
- International Union of Crystallography (IUCr)
- Volume
- 82
- Issue
- 6
- Pages
- 572–577
- Publication date
- 29 April 2026
- Language
- EN