Acta Crystallographica Section E (Jul 2009)

4-(But-3-enylamino)-3-nitrobenzoic acid

  • Shivanagere Nagojappa Narendra Babu,
  • Aisyah Saad Abdul Rahim,
  • Hasnah Osman,
  • Samuel Robinson Jebas,
  • Hoong-Kun Fun

DOI
https://doi.org/10.1107/S1600536809021692
Journal volume & issue
Vol. 65, no. 7
pp. o1560 – o1561

Abstract

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The asymmetric unit of the title compound, C11H12N2O4, contains 12 crystallographically independent molecules, labelled A to L. The nitro and carboxyl groups are twisted slightly out of the plane of the attached benzene ring in all independent molecules except molecules G and D. The nitro group is coplanar with the benzene ring in molecule G and the carboxyl group is coplanar with the benzene ring in molecule D. The orientation of the butyl group with respect to the rest of the molecule is different in some of the independent molecules, with the C—C—C—C torsion angles varying from 104.2 (5) to 126.6 (7)°. In each independent molecule, an intramolecular N—H...O hydrogen bond generates an S(6) ring motif. In the crystal structure, the 12 independent molecules exist as six pairs of O—H...O hydrogen-bonded R22(8) dimers. In addition, C—H...O hydrogen bonds are observed.