Crystal structure and Hirshfeld surface analysis of 4-bromo-6-phenyl-6,7-dihydro-5H-furo[2,3-f]-isoindol-5-one

Alekseeva K. A., Grigoriev M. S., Kolesnik I. A., Murshudlu N. A., Hasanov K. I., Nazarova R. Z., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.81, sa.Pt 9, ss.844-848, 2025 (ESCI, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 81 Sayı: Pt 9
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1107/s2056989025007170
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.844-848
  • Anahtar Kelimeler: crystal structure, Diels–Alder reaction, furo[2,3f]isoindole, Hirshfeld surface analysis, IMDAV reaction, isoindole
  • Erciyes Üniversitesi Adresli: Evet

Özet

The title molecule, C16H10BrNO2, is essentially planar (r.m.s. deviation = 0.004 Å). In the crystal, molecules are linked by C—H· · ·O and C—H· · ·Br hydrogen bonds, forming ribbons along the b-axis direction. Furthermore, π-π interactions cause the molecules to form ribbons along the [1 0 10] and [1 0 10] directions [centroid-to-centroid distances = 3.703 (3), 3.734 (3), 3.703 (3), and 3.734 (3) Å]. According to a Hirshfeld surface analysis, H· · ·H (33.8%), O· · ·H/ H· · ·O (15.1%), C· · ·H/H· · ·C (14.6%), Br· · ·H/H· · ·Br (13.8%), and C· · ·C (11.9%) interactions are the main contributors to the crystal packing.