Synthesis and crystal structure analysis of (3aRS,6RS,7aRS)-N-(4-bromophenyl)-1,6,7,7a-tetrahydro-3a,6-epoxyisoindole-2(3H)-carboselenoamide

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Shchevnikov D. M., Gurbanov A. V., Khrustalev V. N., Woldemariam M. M., HÖKELEK T., Litvinov R. A.

Acta Crystallographica Section E: Crystallographic Communications, vol.82, pp.572-577, 2026 (ESCI, Scopus)

• Publication Type: Article / Article
• Volume: 82
• Publication Date: 2026
• Doi Number: 10.1107/s2056989026004299
• Journal Name: Acta Crystallographica Section E: Crystallographic Communications
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.572-577
• Keywords: crystal structure, isoindole, non-covalent interactions
• Hacettepe University Affiliated: Yes

Abstract

The asymmetric unit of the title compound, C15H15BrN2OSe, 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 R22(20), R33(18) and R44(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.