Crystal structure and Hirshfeld surface analysis of 1-[(1-butyl-1H-1,2,3-triazol-4-yl)methyl]-3-methyl-1,2-dihydroquinoxalin-2-one


Abad N., Ramli Y., HÖKELEK T. , Kheira Sebbar N., Mague J. T. , Essassi E. M.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.74, ss.1815-1826, 2018 (ESCI İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 74
  • Basım Tarihi: 2018
  • Doi Numarası: 10.1107/s205698901801589x
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Sayfa Sayıları: ss.1815-1826

Özet

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)degrees to the quinoxalinone ring plane. In the crystal, the molecules form oblique stacks along the a-axis direction through intermolecular C-H-Trz center dot center dot center dot N-Trz (Trz = triazole) hydrogen bonds, and offset pi-stacking interactions between quinoxalinone rings [centroid-centroid distance = 3.9107 (9) angstrom] and pi-pi interactions, which are associated pairwise by inversion-related C-H-Dhydqn center dot center dot center dot pi(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 center dot center dot center dot H (52.7%), H center dot center dot center dot N/N center dot center dot center dot H (18.9%) and H center dot center dot center dot C/C center dot center dot center dot H (17.0%) interactions.