Tafeenko Viktor A, Nikolaev Aleksander N, Peschar Rene, Kaukova Olga V, Schenk Henk, Aslanov Leonid A
Chemistry Department, Moscow State University, 119899 Moscow, Russia.
Acta Crystallogr C. 2004 Apr;60(Pt 4):o297-9. doi: 10.1107/S0108270104005372. Epub 2004 Mar 31.
The crystal structure of the title compound, C(6)H(8)N(+).C(8)HN(4)O(2)(-), is characterized by three independent ion pairs (A, B and C) in the asymmetric unit. Each ion pair consists of an anion and a cation, and the three ion pairs have similar geometric parameters. All the anions are arranged as dianion dimers via two N-H.O hydrogen bonds and the dimers form one-dimensional columns parallel to the b axis as a result of pi-pi interactions. The cations are also stacked, in two different ways: one type of stacking consists of alternating A and B cations, while the other type consists of C cations only. Each dianion dimer stack is surrounded by eight stacks of cations and is not connected directly to other dianion stacks.
标题化合物C(6)H(8)N(+)·C(8)HN(4)O(2)(-)的晶体结构的特征在于不对称单元中有三个独立的离子对（A、B和C）。每个离子对由一个阴离子和一个阳离子组成，且这三个离子对具有相似的几何参数。所有阴离子通过两个N-H…O氢键排列成二聚阴离子二聚体，并且由于π-π相互作用，这些二聚体形成平行于b轴的一维柱。阳离子也以两种不同方式堆积：一种堆积方式由交替的A和B阳离子组成，而另一种仅由C阳离子组成。每个二聚阴离子二聚体堆叠被八层阳离子堆叠包围，且不直接与其他二聚阴离子堆叠相连。
