Zhang Bing-Yu, Nie Jing-Jing, Xu Duan-Jun
Department of Chemistry, Zhejiang University, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 22;65(Pt 8):m975-6. doi: 10.1107/S1600536809028359.
The crystal structure of the title compound, (C(10)H(9)N(2))(2)Mn(2)(C(10)H(8)N(2))(3)(H(2)O)(8)(2)·C(10)H(8)N(2)·15H(2)O, consists of dinuclear Mn(II) complex cations, sulfonato-benzene-dicarboxyl-ate trianions, 4-(4-pyridyl)pyridinium cations, uncoordin-ated 4,4'-bipyridine and uncoordinated water mol-ecules. One 4,4'-bipyridine mol-ecule bridges two Mn atoms, forming a centrosymmetric dinuclear complex; the mid-point of the C-C bond linking the pyridine rings of the bridging ligand is located on an inversion center. Each Mn(II) atom is coordinated by four water and two 4,4'-bipyridine mol-ecules in a distorted octa-hedral geometry. The Mn(II) atom deviates by 0.591 (5) and 0.209 (2) Å from the mean planes of the coordinated pyridine rings. In the 4-(4-pyridyl)pyridinium cation, the two pyridine rings are twisted with respect to each other, making dihedral angle of 34.78 (17)°. The uncoordinated bipyridine mol-ecule is also centrosymmetric. One of uncoordinated water mol-ecules has site symmetry 2, and the other uncoordinated water mol-ecule is located close to an inversion center and its one H atom is disordered equally over two sites. Extensive π-π stacking between pyridine rings is observed and an extensive hydrogen-bonding network of the types N-H⋯N, O-H⋯N and O-H⋯O is present.
标题化合物(C(10)H(9)N(2))(2)Mn(2)(C(10)H(8)N(2))(3)(H(2)O)(8)(2)·C(10)H(8)N(2)·15H(2)O的晶体结构由双核Mn(II)配合物阳离子、磺基苯二甲酸根三阴离子、4-(4-吡啶基)吡啶鎓阳离子、未配位的4,4'-联吡啶和未配位的水分子组成。一个4,4'-联吡啶分子桥连两个Mn原子，形成一个中心对称的双核配合物；连接桥连配体吡啶环的C-C键中点位于一个反演中心上。每个Mn(II)原子由四个水分子和两个4,4'-联吡啶分子以扭曲的八面体几何构型配位。Mn(II)原子偏离配位吡啶环平均平面的距离分别为0.591 (5) Å和0.209 (2) Å。在4-(4-吡啶基)吡啶鎓阳离子中，两个吡啶环彼此扭曲，二面角为34.78 (17)°。未配位的联吡啶分子也是中心对称的。其中一个未配位水分子具有2次点对称性，另一个未配位水分子靠近一个反演中心，其一个H原子在两个位置上无序分布。观察到吡啶环之间广泛的π-π堆积，并且存在N-H⋯N、O-H⋯N和O-H⋯O类型的广泛氢键网络。
