Narendra Babu Shivanagere Nagojappa, Abdul Rahim Aisyah Saad, Osman Hasnah, Jebas Samuel Robinson, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 25;65(Pt 5):o1122-3. doi: 10.1107/S1600536809014780.
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 π-π inter-actions. An intra-molecular N-H⋯O hydrogen bond is observed in each independent mol-ecule. In addition to the π-π inter-actions, the crystal packing is consolidated by inter-molecular O-H⋯O and C-H⋯O hydrogen bonds and C-H⋯π inter-actions. The crystal studied was a non-merohedral twin. The minor twin component refined to a value of 0.290 (1).
标题化合物C(11)H(14)N(2)O(4)的不对称单元包含四个晶体学独立的分子（A、B、C和D），它们具有相似的几何形状。在每个分子中，丁基氨基侧链呈伸展构象，羧基和丁基氨基基团与相连的苯环几乎共面；硝基略微偏离苯环。在不对称单元中，分子A、B和C的苯环彼此平行堆积，质心间距为3.6197 (11) 或3.6569 (11) Å，表明存在π-π相互作用。在每个独立分子中观察到分子内N-H⋯O氢键。除了π-π相互作用外，晶体堆积还通过分子间O-H⋯O和C-H⋯O氢键以及C-H⋯π相互作用得以巩固。所研究的晶体是一个非镜像孪晶。次要孪晶组分的精修值为0.290 (1)。
