4-Butyl-amino-3-nitro-benzoic acid.

ABSTRACT: The asymmetric unit of the title compound, C(11)H(14)N(2)O(4), comprises four crystallographically independent mol-ecules (A, B, C and D) with similar geometries. In each mol-ecule, the butyl-amino side chain is in an extended conformation, and the carboxyl and butyl-amino groups are almost coplanar with the attached benzene ring; the nitro group is slightly twisted away from the benzene ring. In the asymmetric unit, the benzene rings of mol-ecules A, B and C are stacked parallel to one another, with a centroid-centroid distance of 3.6197?(11) or 3.6569?(11)?Å, indicating ?-? inter-actions. An intra-molecular N-H?O hydrogen bond is observed in each independent mol-ecule. In addition to the ?-? inter-actions, the crystal packing is consolidated by inter-molecular O-H?O and C-H?O hydrogen bonds and C-H?? inter-actions. The crystal studied was a non-merohedral twin. The minor twin component refined to a value of 0.290?(1).

SUBMITTER: Narendra Babu SN 

PROVIDER: S-EPMC2977797 | biostudies-other | 2009

REPOSITORIES: biostudies-other