Crystal structure of ethyl 2-{4-[(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate

Abstract

The quinoxaline portion of the title molecule, C21H19N5O3, is not quite planar as indicated by a dihedral angle of 3.38 (7)° between the constituent rings. The molecule is `U-shaped', which is consolidated by an intramolecular antiparallel carbonyl electrostatic interaction with C··O distances of 2.8905 (16) and 3.0221 (15) Å, in the crystal forms corrugated layers through C—H...O and C—H...N hydrogen bonds and C—H...π(ring) and π-stacking interactions.

Crystal structure and Hirshfeld surface analysis of 3-phenyl-1-{3-[(3-phenylquinoxalin-2-yl)oxy]propyl}-1,2-dihydroquinoxalin-2-one

“…Using the fragment B (Fig. 6), fifteen hits were returned with R = -(CH 2 ) 7 Me (AZAZEC; Abad et al, 2021d), Me (BUDMAP; Benzeid et al, 2009a), ethyl (1H-1,2,3-triazol-1yl)methyl acetate (ECUCOY; Abad et al, 2022), -(CH 2 ) 2 OC O)Me (ESUKUB; Abad et al, 2021a), (1-hexyl-1H-1,2,3-triazol-5-yl)methyl (FOFCIQ; Abad et al, 2023a), (oxazolidin-2-one-3-yl)ethyl (IDOSUR; Al Ati et al, 2021), [3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (ILI-RED; Abad et al, 2021b), Et (MAGBIJ;Al Ati et al, 2021), (oxirane-2-yl)methyl (NIBXEE; Abad et al, 2018a), benzyl (PUGGII; Benzeid et al, 2009b), -(CH 2 ) 2 CH 2 OH (RIRBOM; Abad et al, 2018b), -(CH 2 ) 8 Me (UDAMIZ; Abad et al, 2021c), -(CH 2 ) 4 Me (UFITEM; Abad et al, 2023b), -(CH 2 ) 2 CO 2 Et (XEXWIJ; Abad et al, 2018c) and allyl (YAJGEX; Benzeid et al, 2011). Three of these structures feature two independent molecules in the asymmetric unit (see Table 3).…”