首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >2-Amino­pyridinium 2-meth­oxy­carbonyl-46-dinitro­phenolate
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2-Amino­pyridinium 2-meth­oxy­carbonyl-46-dinitro­phenolate

机译:2-Amino­pyridinium 2-meth­oxy­carbonyl-46-dinitro­phenolate

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摘要

In the title mol­ecular salt, C5H7N2 +·C8H5N2O7 , the 2-amino­pyridinium cation is essentially planar, with a maximium deviation of 0.015 (1) Å, while the 2-meth­oxy­carbonyl-4,6-dinitro­phenolate anion is slightly twisted away from planarity, with a maximium deviation of 0.187 (1) Å. Deprotonation of the hy­droxy O atom was observed. The cation and anion are connected by four bifurcated N—H⋯(O,O) hydrogen bonds, forming a mol­ecular proton-transfer adduct. The dihedral angle between the pyridinium ring in the cation and the benzene ring in the anion is 3.65 (6)°. Every adduct connects to six neighboring adducts by N—H⋯O and C—H⋯O hydrogen bonds, yielding extended layers parallel to the bc plane. There is a weak π–π inter­action between the benzene rings of two neighboring anions; the inter­planar spacing and the centroid–centroid separation are 3.309 (1) and 3.69 (1) Å, respectively.
机译:在标题分子盐C5H7N2 + ·C8H5N2O7 -中,2-氨基吡啶鎓阳离子基本上为平面,最大偏差为0.015(1)Å,而2-甲氧基羰基-4,6-二硝基苯酚酸根阴离子略微偏离平面度,最大偏差为0.187(1)Å。观察到羟基O原子的去质子化。阳离子和阴离子通过四个分叉的N-H⋯(O,O)氢键连接,形成分子质子转移加合物。阳离子中的吡啶环与阴离子中的苯环之间的二面角为3.65°(6)°。每个加合物均通过N-H = O和C-H = O氢键连接至六个相邻的加合物,从而产生平行于bc平面的延伸层。在两个相邻阴离子的苯环之间存在弱的π-π相互作用。平面间距和质心间距离分别为3.309(1)和3.69(1)Å。

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