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.

Autor: Zouhair, M., El Ghayati, L., El Monfalouti, H., Abchihi, H., Hökelek, T., Ahmed, M., Mague, J. T., Sebbar, N. K.
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications; Dec2023, Vol. 79 Issue 12, p1179-1182, 13p
Abstrakt: 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—HO hydrogen bonds form chains of mol­ecules extending along the b-axis direction, which are linked by weak C—HN hydrogen bonds and C—Hπ 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 HH (68.3%), HN/NH (15.7%) and HC/CH (10.4%) inter­actions. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index