Synthesis, structure and Hirshfeld surface analysis of 1,3-bis[(1-octyl-1H-1,2,3-triazol-4-yl)methyl]-1H-benzo[d]imidazol-2(3H)-one

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Zouhair M., El Ghayati L., El Monfalouti H., Abchihi H., HÖKELEK T., Ahmed M., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.79, sa.Pt 12, ss.1179-1182, 2023 (ESCI) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 79 Sayı: Pt 12
  • Basım Tarihi: 2023
  • Doi Numarası: 10.1107/s2056989023009891
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.1179-1182
  • Anahtar Kelimeler: benzimidazolone, crystal structure, C—H· · ·π(ring) interaction, hydrogen bond, triazole
  • Hacettepe Üniversitesi Adresli: Evet

Özet

The title molecule, C29H44N8O, adopts a conformation resembling a two-bladed fan with the octyl chains largely in fully extended conformations. In the crystal, C—H· · ·O hydrogen bonds form chains of molecules extending along the b-axis direction, which are linked by weak C—H· · ·N hydrogen bonds and C—H· · ·π interactions to generate a three-dimensional network. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H· · ·H (68.3%), H· · ·N/N· · ·H (15.7%) and H· · ·C/C· · ·H (10.4%) interactions.