1,4-重氮杂环己烷双（3-羧基吡嗪-2-羧酸酯）二水合物
1,4-Diazo-niacyclo-hexane bis-(3-carb-oxy-pyrazine-2-carboxyl-ate) dihydrate.
作者信息
Eshtiagh-Hosseini Hossein, Alfi Nafiseh, Mirzaei Masoud, Necas Marek
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 13;66(Pt 11):o2810-1. doi: 10.1107/S1600536810040109.
In the title compound, C(4)H(12)N(2) (2+)·2C(6)H(3)N(2)O(4) (-)·2H(2)O or (1,4-dacH(2))(pyzdcH)(2)·2H(2)O, the complete dication is generated by crystallographic inversion symmetry. An intra-molecular O-H⋯O hydrogen bond occurs in the anion. In the crystal, O-H⋯O, O-H⋯N, N-H⋯O and N-H⋯N hydrogen bonds result in the formation of a three-dimensional network. Additionally, π-π stacking inter-actions between the pyrazine rings with centroid-centroid distances of 3.7065 (2) Å are observed.
在标题化合物C₄H₁₂N₂²⁺·2C₆H₃N₂O₄⁻·2H₂O或(1,4 - dacH₂)(pyzdcH)₂·2H₂O中，完整的二价阳离子由晶体学反演对称性产生。阴离子中存在分子内O - H⋯O氢键。在晶体中，O - H⋯O、O - H⋯N、N - H⋯O和N - H⋯N氢键导致形成三维网络。此外，观察到吡嗪环之间的π - π堆积相互作用，其质心 - 质心距离为3.7065(2) Å。
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