Ha Kwang
School of Applied Chemical Engineering, The Research Institute of Catalysis, Chonnam National University, Gwangju 500-757, Republic of Korea.
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):m1414. doi: 10.1107/S1600536811037810. Epub 2011 Sep 30.
The asymmetric unit of the title compound, [MnI(C(8)H(6)N(4))(2)(H(2)O)]I·2H(2)O, contains a cationic Mn(II) complex, an I(-) anion and two solvent water mol-ecules. In the complex, the Mn(II) ion is six-coordinated in a considerably distorted octa-hedral environment defined by four N atoms of the two chelating 2,2'-bipyrimidine (bpym) ligands, one I(-) anion and one O atom of a water ligand. As a result of the different trans effects of the I and O atoms, the Mn-N bond trans to the I atom is slightly longer than the Mn-N bond trans to the O atom. The dihedral angle between the least-squares planes of the two bpym ligands [maximum deviation = 0.088 (4) Å] is 76.48 (6)°. In the crystal, the complex cation, the anion and the solvent water mol-ecules are linked by inter-molecular O-H⋯O, O-H⋯I and O-H⋯N hydrogen bonds.
标题化合物[MnI(C₈H₆N₄)₂(H₂O)]I·2H₂O的不对称单元包含一个阳离子Mn(II)配合物、一个I⁻阴离子和两个溶剂水分子。在该配合物中，Mn(II)离子由两个螯合的2,2'-联嘧啶（bpym）配体的四个N原子、一个I⁻阴离子和一个水配体的O原子在一个严重扭曲的八面体环境中进行六配位。由于I和O原子的反位效应不同，与I原子反位的Mn-N键比与O原子反位的Mn-N键略长。两个bpym配体的最小二乘平面之间的二面角[最大偏差 = 0.088 (4) Å]为76.48 (6)°。在晶体中，配合物阳离子、阴离子和溶剂水分子通过分子间的O-H⋯O、O-H⋯I和O-H⋯N氢键相连。
