Acta Crystallographica Section E (Sep 2011)

Ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate

  • Hoong-Kun Fun,
  • Ching Kheng Quah,
  • Nithinchandra,
  • Balakrishna Kalluraya

DOI
https://doi.org/10.1107/S1600536811033940
Journal volume & issue
Vol. 67, no. 9
pp. o2416 – o2416

Abstract

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In the title compound, C12H12N4O4, the 1,2,3-triazole ring and the nitro group form dihedral angles of 37.93 (5) and 8.97 (12)°, respectively, with the phenyl ring. The molecular structure is stabilized by an intramolecular C—H...O hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked by C—H...N hydrogen bonds into layers lying parallel to (100). The crystal structure is further consolidated by π–π [centroid–centroid distance = 3.6059 (6) Å] interactions.