Crystal Structure And Hirshfeld Surface Analysis Of 1-[(1-Butyl-1H-1,2,3-Triazol-4-Yl)MethYl]-3-MethylQuinoxalin-2(1H)-One
Tarih
2018Yazar
Abad, Nadeem
Ramli, Youssef
Hökelek, Tuncer
Sebbar, N. K.
Mague, J. T.
Essassi, E. M.
Üst veri
Tüm öğe kaydını gösterÖzet
The title compound is built up from a planar quinoxalinone ring system linked through a methylene bridge to a 1,2,3-triazole ring, which is inclined by 67.09 (4)° to the quinoxalinone ring plane., The title compound, C16H19N5O, is built up from a planar quinoxalinone ring system linked through a methylene bridge to a 1,2,3-triazole ring, which in turn carries an n-butyl substituent. The triazole ring is inclined by 67.09 (4)° to the quinoxalinone ring plane. In the crystal, the molecules form oblique stacks along the a-axis direction through intermolecular C—HTrz⋯NTrz (Trz = triazole) hydrogen bonds, and offset π-stacking interactions between quinoxalinone rings [centroid–centroid distance = 3.9107 (9) Å] and π–π interactions, which are associated pairwise by inversion-related C—HDhydqn⋯π(ring) (Dhydqn = dihydroquinoxaline) interactions. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (52.7%), H⋯N/N⋯H (18.9%) and H⋯C/C⋯H (17.0%) interactions.
Bağlantı
https://doi.org/10.1107/S205698901801589Xhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC6281099/
http://hdl.handle.net/11655/18166