Acta Crystallographica Section E (Dec 2008)

2-Methyl-3-nitrobenzonitrile

  • Hai-bo Wang,
  • Min Zhang,
  • Ran-zhe Lu,
  • Lu-na Han,
  • Guo-zhi Han

DOI
https://doi.org/10.1107/S1600536808039354
Journal volume & issue
Vol. 64, no. 12
pp. o2468 – o2468

Abstract

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The asymmetric unit of the title compound, C8H6N2O2, contains two independent molecules, the aromatic rings of which are oriented at a dihedral angle of 1.68 (3)°. Intramolecular C—H...O hydrogen bonds result in the formation of two non-planar six-membered rings, which adopt envelope and twisted conformations. In the crystal structure, intermolecular C—H...O hydrogen bonds link the molecules. There are π–π contacts between the benzene rings [centroid–centroid distances = 3.752 (3) and 3.874 (3) Å].