Necefoğlu Hacali, Ozbek Füreya Elif, Oztürk Vijdan, Adıgüzel Vedat, Hökelek Tuncer
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):m1128-9. doi: 10.1107/S1600536811028492. Epub 2011 Jul 23.
In the centrosymmetric dinuclear title compound, [Mn(2)(C(7)H(4)BrO(2))(4)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Mn(II) atom is coordinated by one N atom from one bridging nicotinamide ligand and one O atom from another symmetry-related bridging nicotinamide ligand, three O atoms from two 4-bromo-benzoate ligands and one water mol-ecule in a distorted octa-hedral geometry. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 10.89 (16) and 8.4 (2)°, while the benzene rings are oriented at a dihedral angle of 6.09 (13)°. Inter-molecular O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π inter-actions, indicated by short centroid-centroid distances [3.845 (2) Å between the benzene rings, 3.650 (2) Å between the pyridine rings and 3.700 (3) Å between the benzene and pyridine rings] further stabilize the structure.
在中心对称的双核标题化合物[Mn₂(C₇H₄BrO₂)₄(C₆H₆N₂O)₂(H₂O)₂]中,Mn(II)原子由一个桥连烟酰胺配体的一个N原子和另一个对称相关桥连烟酰胺配体的一个O原子、两个4-溴苯甲酸酯配体的三个O原子以及一个水分子以扭曲的八面体几何构型配位。羧酸根基团与相邻苯环之间的二面角为10.89 (16)°和8.4 (2)°,而苯环之间的二面角为6.09 (13)°。分子间的O—H⋯O、N—H⋯O和弱C—H⋯O氢键将分子连接成三维网络。由短的质心-质心距离[苯环之间为3.845 (2) Å、吡啶环之间为3.650 (2) Å以及苯环与吡啶环之间为3.700 (3) Å]表明的π-π相互作用进一步稳定了结构。