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

  • Nadeem Abad
  • , Youssef Ramli
  • , Tuncer Hökelek
  • , Nada Kheira Sebbar
  • , Joel T. Mague
  • , El Mokhtar Essassi

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)1815-1820
Number of pages6
JournalActa Crystallographica Section E: Crystallographic Communications
Volume74
DOIs
Publication statusPublished - 2018

Keywords

  • Hirshfeld surface
  • crystal structure
  • dihydroquinoxaline
  • triazole
  • π-stacking

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