Ma Cheng Bing, Chen Chang Neng, Liu Qiu Tian
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China.
Acta Crystallogr C. 2007 Oct;63(Pt 10):m469-72. doi: 10.1107/S0108270107044976. Epub 2007 Sep 29.
In the title compound, [Mn(C(7)H(3)NO(4))(C(3)H(4)N(2))(C(12)H(8)N(2))(H(2)O)], the Mn(II) centre is surrounded by one bidentate phenanthroline ligand [Mn-N = 2.383 (3) and 2.421 (3) A], one tridentate dipicolinate ligand [Mn-N = 2.300 (3) A, and Mn-O = 2.300 (2) and 2.357 (2) A], one monodentate imidazole ligand [Mn-N = 2.238 (3) A] and one water molecule [Mn-O = 2.157 (3) A]. It displays a distorted pentagonal-bipyramidal geometry, with neighbouring angles within the equatorial plane ranging from 68.05 (9) to 77.48 (10) degrees . Intermolecular O-H...O hydrogen bonds link the molecules into infinite chains. The chains are crosslinked by hydrogen bonds involving the carboxyl O atoms of the dipicolinate ligand and the protonated imidazole N atom, leading to an infinite two-dimensional network sheet packing mode. The complete solid-state structure can be described as a three-dimensional supramolecular framework, stabilized by these intermolecular hydrogen-bonding interactions and pi-pi stacking interactions involving the phenanthroline rings.
在标题化合物[Mn(C₇H₃NO₄)(C₃H₄N₂)(C₁₂H₈N₂)(H₂O)]中,Mn(II)中心被一个双齿菲咯啉配体[Mn-N = 2.383(3) Å和2.421(3) Å]、一个三齿吡啶二甲酸配体[Mn-N = 2.300(3) Å,且Mn-O = 2.300(2) Å和2.357(2) Å]、一个单齿咪唑配体[Mn-N = 2.238(3) Å]和一个水分子[Mn-O = 2.157(3) Å]所包围。它呈现出扭曲的五角双锥几何构型,赤道平面内相邻角度范围为68.05(9)至77.48(10)度。分子间的O-H...O氢键将分子连接成无限长链。这些链通过涉及吡啶二甲酸配体的羧基O原子和质子化咪唑N原子的氢键相互交联,形成无限的二维网络片状堆积模式。完整的固态结构可描述为三维超分子框架,通过这些分子间氢键相互作用和涉及菲咯啉环的π-π堆积相互作用得以稳定。