Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1<i>H</i>-4,6-epoxy-1<i>H</i>-cyclopenta[<i>c</i>]-pyridin-1-one

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Mertsalov D. F., Surina N. S., Sorokina E. A., Celikesir S., AKKURT M., Grigoriev M. S., ...Daha Fazla

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.77, ss.532-536, 2021 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 77
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1107/s2056989021003273
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.532-536
  • Anahtar Kelimeler: crystal structure, ep­oxy­iso­indole group, halogen bond, Hirshfeld surface analysis, hydrogen bond, non-covalent inter­actions
  • Erciyes Üniversitesi Adresli: Evet

Özet

The molecule of the title compound, C15H15Br2NO3, comprises a fused tricyclic system consisting of two five-membered rings (cyclopentane and tetrahydrofuran) and one six-membered ring (tetrahydropyridinone). Both five-membered rings of the tricyclic system have envelope conformations, and the conformation of the six-membered cycle is intermediate between chair and half-chair. In the crystal, the molecules are linked by C-H center dot center dot center dot O hydrogen bonds and C-H center dot center dot center dot pi, C-Br center dot center dot center dot pi and C center dot center dot center dot O interactions into double layers. The layers are connected into a three-dimensional network by van der Waals interactions.