Synthesis, crystal structure and Hirshfeld surface analysis of 1-[(1-octyl-1H-1,2,3-triazol-4-yl)methyl]-3-phenyl-1,2-di-hydro-quinoxalin-2(1H)-one.

ABSTRACT: In the title mol-ecule, C₂₅H₂₉N₅O, the di-hydro-quinoxaline unit is not quite planar (r.m.s. deviation = 0.030 Å) as there is a dihedral angle of 2.69 (3)° between the mean planes of the constituent rings and the mol-ecule adopts a hairpin conformation. In the crystal, the polar portions of the mol-ecules are associated through C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π(ring) and C=O⋯π(ring) inter-actions, forming thick layers parallel to the bc plane and with the n-octyl groups on the outside surfaces.

SUBMITTER: Abad N 

PROVIDER: S-EPMC11389679 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature