Crystal Structure And Hirshfeld Surface Analysis Of 1-[(1-Butyl-1H-1,2,3-Triazol-4-Yl)MethYl]-3-MethylQuinoxalin-2(1H)-One
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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