首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Diaqua­NN′-bis­(2-pyridylmethyl­ene)propane-13-diaminemanganese(II) dibromide–aqua­bromidoNN′-bis­(2-pyridylmethyl­ene)propane-13-diaminemanganese(II) bromide–dibromidoNN′-bis­(2-pyridylmethyl­ene)propane-13-diaminemanganese(II) (1/2/1)
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Diaqua­NN′-bis­(2-pyridylmethyl­ene)propane-13-diaminemanganese(II) dibromide–aqua­bromidoNN′-bis­(2-pyridylmethyl­ene)propane-13-diaminemanganese(II) bromide–dibromidoNN′-bis­(2-pyridylmethyl­ene)propane-13-diaminemanganese(II) (1/2/1)

机译:二溴NN-双(2-吡啶基亚甲基)丙烷-13-二胺锰II二溴化铵-水溴化锰NN-双(2-吡啶基亚甲基)丙烷-13-二胺锰( II)溴化物-二溴甲烷NN-双(2-吡啶基亚甲基)丙烷-13-二胺锰(II)(1/2/1)

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摘要

There are three different MnII complexes in the asymmetric unit of the title compound, [Mn(C15H16N4)(H2O)2]Br2·2{[MnBr(C15H16N4)(H2O)]Br}·[MnBr2(C15H16N4)]. In the neutral complex, the Mn2+ ion is six-coordinated in a distorted octa­hedral environment by four N atoms of the tetra­dentate ligand N,N′-bis­(2-pyridylmethyl­ene)propane-1,3-diamine (bppd) and two bromide ligands. In the two cationic complexes, the Mn2+ ions are also six-coordinated in similar environments, but one Mn ion is coordinated by four N atoms of bppd, one Br atom and one O atom of a coordinating water mol­ecule, whereas the other Mn ion is coordinated by four N atoms of bppd and two O atoms of water ligands. The complexes with two coordinated Br atoms or two H2O ligands are disposed about a twofold axis through Mn and C atoms with the special positions (, y, 0) and (0, y, ), respectively. The compound displays inter­molecular O—H⋯Br hydrogen bonding. There are inter­molecular π–π inter­actions between adjacent pyridine rings, with centroid–centroid distances of 3.822 and 3.833 Å, and a C—H⋯O inter­action is also present.
机译:在标题化合物的不对称单元[Mn(C15H16N4)(H2O)2] Br2·2 {[MnBr(C15H16N4)(H2O)] Br}·[中存在三种不同的Mn II 配合物。 MnBr2(C15H16N4)]。在中性络合物中,Mn 2 + 离子在扭曲的八面体环境中被四齿配体N,N'-双(2-吡啶基亚甲基)丙烷-1,3的四个N原子配位。 -二胺(bppd)和两个溴化物配体。在两种阳离子络合物中,Mn 2 + 离子在相似的环境中也六配位,但一个Mn离子由bppd的四个N原子,一个配位的Br原子和一个O原子配位。水分子,而另一个Mn离子则由bppd的四个N原子和两个水配体的O原子配位。具有两个配位的Br原子或两个H2O配体的络合物分别绕着穿过Mn和C原子的双轴排列,分别具有特殊位置(,y,0)和(0,y,)。该化合物显示分子间OH-Br氢键。相邻吡啶环之间存在分子间π-π相互作用,质心-质心距离为3.822和3.833Å,并且还存在C-H⋯O相互作用。

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