草酸 - 吡啶 - 4 - 甲腈（1/2）
Oxalic acid-pyridine-4-carbonitrile (1/2).
作者信息
Zheng Wen-Ni
机构信息
College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1625. doi: 10.1107/S1600536812019137. Epub 2012 May 5.
In the title compound, 2C(6)H(4)N(2)·C(2)H(2)O(4), the oxalic acid mol-ecule lies about an inversion center. The pyridine ring of the pyridine-4-carbonitrile mol-ecule is almost planar, the largest deviation from the least-squares plane being 0.006 (1) Å; the nitrile N atom deviates from this plane by 0.114 (1) Å. In the crystal, the oxalic acid mol-ecules and the pyridine-4-carbonitrile mol-ecules form stacks. Neighboring mol-ecules within the stacks are related by translation in the a direction, with inter-planar distances of 3.183 (1) and 3.331 (2) Å, respectively. Each oxalic acid mol-ecule forms strong O-H⋯N hydrogen bonds with two mol-ecules of pyridine-4-carbonitrile. Besides this, there are also weak C-H⋯O inter-actions.
在标题化合物2C₆H₄N₂·C₂H₂O₄中，草酸分子位于一个反演中心上。吡啶 - 4 - 甲腈分子的吡啶环几乎是平面的，与最小二乘平面的最大偏差为0.006 (1) Å；腈基N原子偏离该平面0.114 (1) Å。在晶体中，草酸分子和吡啶 - 4 - 甲腈分子形成堆积。堆积内相邻分子通过a方向的平移相关，平面间距分别为3.183 (1) 和3.331 (2) Å。每个草酸分子与两个吡啶 - 4 - 甲腈分子形成强O - H⋯N氢键。除此之外，还存在弱的C - H⋯O相互作用。
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