Gao Xiaoli, Zhu Miaoli
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 10;66(Pt 12):o3124. doi: 10.1107/S1600536810045368.
In the title compound, C(6)H(6)N(4)·2C(7)H(6)O(2), the asymmetric unit contains a half-mol-ecule of biimidazole and one benzoic acid mol-ecule. The unit cell contains two biimidazole mol-ecules and four benzoic acid mol-ecules, giving the reported 2:1 ratio of benzoic acid to biimidazole. The biimidazole mol-ecule is located on an inversion center (passing through the central C-C bond). Strong N-H⋯O and O-H⋯N hydrogen bonds link the benzoic acid mol-ecules with the neutral biimidazole mol-ecules, which lie in planar sheets. In the crystal packing, the parallel sheets are related by a twofold rotation axis and an inversion centre, respectively, forming an inter-woven three-dimensional network via weak C=O⋯π inter-molecular inter-actions between neighboring mol-ecules.
在标题化合物C(6)H(6)N(4)·2C(7)H(6)O(2)中,不对称单元包含半个联咪唑分子和一个苯甲酸分子。晶胞中含有两个联咪唑分子和四个苯甲酸分子,呈现出报道的苯甲酸与联咪唑2:1的比例。联咪唑分子位于一个对称中心(通过中心C-C键)上。强的N-H⋯O和O-H⋯N氢键将苯甲酸分子与呈平面片状排列的中性联咪唑分子相连。在晶体堆积中,平行的片层分别通过一个二重旋转轴和一个对称中心相关联,相邻分子之间通过弱的C=O⋯π分子间相互作用形成一个交织的三维网络。