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
Acta Crystallographica Section E: Crystallographic Communications, cilt.79, sa.Pt 12, ss.1179-1182, 2023 (ESCI, Scopus)
- 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
- Açık Arşiv Koleksiyonu: AVESİS Açık Erişim Koleksiyonu
- 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.