Crystal structure and Hirshfeld surface analysis of 10-(3-benzylthiophen-2-yl)-5,5-difluoro-5H-4λ4,5λ4-dipyrrolo[1,2-c:20,10-f][1,3,2]diazaborinine

Polianskaia Z. A., Larionov A. S., Khrustalev V. N., AKKURT M., Manahelohe G. M., Guliyeva N. A., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.82, ss.505-510, 2026 (ESCI, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 82
  • Basım Tarihi: 2026
  • Doi Numarası: 10.1107/s2056989026003889
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.505-510
  • Anahtar Kelimeler: C-H· · ·F interactions, C-H· · ·π interactions, crystal structure, Hirshfeld surface analysis
  • Erciyes Üniversitesi Adresli: Evet

Özet

In the title compound, C20H15BF2N2S, the twelve-membered ring system is essentially planar (r.m.s. deviation = 0.001 Å). The dihedral angles between the average plane of this ring and the thiophene and phenyl rings are 58.69 (4) and 61.41 (4)°, respectively. In the crystal, C-H· · ·F interactions generate R22(10) and three types of R23(21) ring motifs around a molecule, resulting in layers parallel to the (101) plane. The molecules further form layers parallel to the (101) plane through C-H· · ·π interactions. According to a Hirshfeld surface analysis, H· · ·H (41.5%), C· · ·H/H· · ·C (23.5%) and F· · ·H/H· · ·F (18.2%) interactions are the most significant contributors to the crystal packing.