Lopes Lívia Batista, Corrêa Charlane Cimini, Diniz Renata
Núcleo de Espectroscopia e Estrutura Molecular (NEEM), Department of Chemistry - Federal University of Juiz de Fora - Minas Gerais, 36036-900, Brazil.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):m906-7. doi: 10.1107/S1600536811021805. Epub 2011 Jun 11.
The metal site in the title compound [MnCl(2)(C(12)H(12)N(2))(2)]·2.5H(2)O has a distorted octa-hedral geometry, coordinated by four N atoms of two 5,5'-dimethyl-2,2'-dipyridine ligands and two Cl atoms. Two and a half water molecules of hydration per complex unit are observed in the crystal structure. The compounds extend along the c axis with O-H⋯Cl, O-H⋯O, C-H⋯Cl and C-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.70 (2) Å] contributing substanti-ally to the crystal packing. The Mn and one of the water O atoms, the latter being half-occupied, are located on special positions, in this case a rotation axis of order 2.
标题化合物[MnCl₂(C₁₂H₁₂N₂)₂]·2.5H₂O中的金属位点具有扭曲的八面体几何构型,由两个5,5'-二甲基-2,2'-联吡啶配体的四个N原子和两个Cl原子配位。在晶体结构中观察到每个络合物单元有两个半水分子参与水合作用。化合物沿着c轴延伸,通过O—H⋯Cl、O—H⋯O、C—H⋯Cl和C—H⋯O氢键以及π-π相互作用[质心-质心距离 = 3.70 (2) Å]对晶体堆积有重要贡献。Mn和其中一个水O原子(后者为半占据)位于特殊位置,在这种情况下是2次旋转轴。