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

Shchevnikov, Dimitrii; Gurbanov, Atash; Khrustalev, Victor; Woldemariam, Menberu; HÖKELEK, TUNCER; Litvinov, Roman

doi:10.1107/s2056989026004299

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

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

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

Yayın Türü: Makale / Tam Makale
Cilt numarası: 82
Basım Tarihi: 2026
Doi Numarası: 10.1107/s2056989026004299
Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
Sayfa Sayıları: ss.572-577
Anahtar Kelimeler: crystal structure, isoindole, non-covalent interactions
Hacettepe Üniversitesi Adresli: Evet

Özet

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.