吖啶鎓 6-羧基吡啶-2-羧酸酯一水合物
Acridinium 6-carb-oxy-pyridine-2-carboxyl-ate monohydrate.
作者信息
Derikvand Zohreh, Olmstead Marilyn M, Attar Gharamaleki Jafar
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 15;67(Pt 2):o416. doi: 10.1107/S1600536810053791.
The title compound, C(13)H(10)N(+)·C(7)H(4)NO(4) (-)·H(2)O or (acrH)(+)(pydcH)(-)·H(2)O, is a monohydrate of acridinium cations and a mono-deprotonated pyridine-2,6-dicarb-oxy-lic acid. The structure contains a range of non-covalent inter-actions, such as O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds, as well as π-π stacking [range of centroid-centroid distances = 3.4783 (5)-3.8059 (5) Å]. The N-H⋯O hydrogen bond between the donor acridinium cation and the carboxyl-ate acceptor is particularly strong. The average separation between the π-stacked acridinium planes is 3.42 (3) Å.
标题化合物C₁₃H₁₀N⁺·C₇H₄NO₄⁻·H₂O或(acrH)⁺(pydcH)⁻·H₂O是吖啶鎓阳离子的一水合物和单去质子化的吡啶-2,6-二羧酸。该结构包含一系列非共价相互作用，如O-H⋯O、O-H⋯N和N-H⋯O氢键，以及π-π堆积[质心-质心距离范围 = 3.4783 (5)-3.8059 (5) Å]。供体吖啶鎓阳离子与羧酸盐受体之间的N-H⋯O氢键特别强。π堆积的吖啶鎓平面之间的平均间距为3.42 (3) Å。
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