Meng Qun-Hui, Han Lu, Hou Jian-Dong, Luo Yi-Fan, Zeng Rong-Hua
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 17;65(Pt 1):o132-3. doi: 10.1107/S1600536808042207.
In the structure of the title compound, C(10)H(10)N(2) (2+)·2ClO(4) (-)·4C(7)H(7)NO(2)·2C(10)H(8)N(2)·2H(2)O, the 4,4'-bipyridinium cation has a crystallographically imposed centre of symmetry. The cation is linked by N-H⋯N hydrogen bonds to adjacent 4,4'-bipyridine mol-ecules, which in turn inter-act via O-H⋯N hydrogen bonds with 4-amino-benzoic acid mol-ecules, forming chains running parallel to [30]. The chains are further connected into a three-dimensional network by N-H⋯O and O-H⋯O hydrogen-bonding inter-actions involving the perchlorate anion, the water mol-ecules and the 4-amino-benzoic acid mol-ecules. In addition, π-π stacking inter-actions with centroid-centroid distances ranging from 3.663 (6) to 3.695 (6) Å are present. The O atoms of the perchlorate anion are disordered over two sets of positions, with refined site occupancies of 0.724 (9) and 0.276 (9).
在标题化合物C(10)H(10)N(2) (2+)·2ClO(4) (-)·4C(7)H(7)NO(2)·2C(10)H(8)N(2)·2H(2)O的结构中,4,4'-联吡啶鎓阳离子具有晶体学上赋予的对称中心。该阳离子通过N-H⋯N氢键与相邻的4,4'-联吡啶分子相连,这些4,4'-联吡啶分子又通过O-H⋯N氢键与4-氨基苯甲酸分子相互作用,形成平行于[30]方向的链。这些链通过涉及高氯酸根阴离子、水分子和4-氨基苯甲酸分子的N-H⋯O和O-H⋯O氢键相互作用进一步连接成三维网络。此外,还存在质心-质心距离在3.663 (6)至3.695 (6) Å范围内的π-π堆积相互作用。高氯酸根阴离子的O原子在两组位置上无序,精制的位点占有率分别为0.724 (9)和0.276 (9)。