4-氨基吡啶鎓 4-硝基苯甲酸酯 4-硝基苯甲酸
4-Amino-pyridinium 4-nitro-benzoate 4-nitro-benzoic acid.
作者信息
Quah Ching Kheng, Jebas Samuel Robinson, Fun Hoong-Kun
机构信息
X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 6;64(Pt 10):o1878-9. doi: 10.1107/S1600536808027761.
The asymmetric unit of the title compound, C(5)H(7)N(2) (+)·C(7)H(4)NO(4) (-)·C(7)H(5)NO(4), consists of an amino-pyridinium cation, a 4-nitro-benzoate anion and a neutral 4-nitro-benzoic acid mol-ecule. The pyridine ring forms dihedral angles of 64.70 (5)° and 70.37 (5)°, respectively, with the benzene rings of 4-nitro-benzoic acid and 4-nitro-benzoate. In the crystal structure, the cations, anions and the neutral 4-nitro-benzoic acid mol-ecules are linked by O-H⋯O and N-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (001). Adjacent networks are cross-linked via C-H⋯O hydrogen bonds and π-π stacking inter-actions [centroid-centroid distances 3.6339 (6) and 3.6566 (6) Å].
标题化合物C(5)H(7)N(2) (+)·C(7)H(4)NO(4) (-)·C(7)H(5)NO(4)的不对称单元由一个氨基吡啶鎓阳离子、一个4-硝基苯甲酸根阴离子和一个中性的4-硝基苯甲酸分子组成。吡啶环与4-硝基苯甲酸和4-硝基苯甲酸根的苯环分别形成64.70 (5)°和70.37 (5)°的二面角。在晶体结构中，阳离子、阴离子和中性的4-硝基苯甲酸分子通过O-H⋯O和N-H⋯O氢键相连，形成平行于(001)的二维网络。相邻网络通过C-H⋯O氢键和π-π堆积相互作用交联[质心-质心距离3.6339 (6)和3.6566 (6) Å]。
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