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二水合 - [N,N'-双-(2-吡啶基亚甲基)丙烷 - 1,3 - 二胺]二溴化锰(II) - 水合 - 溴[ N,N'-双-(2-吡啶基亚甲基)丙烷 - 1,3 - 二胺]溴化锰(II) - 二溴[ N,N'-双-(2-吡啶基亚甲基)丙烷 - 1,3 - 二胺]锰(II) (1/2/1)

Diaqua-[N,N'-bis-(2-pyridylmethyl-ene)propane-1,3-diamine]manganese(II) dibromide-aqua-bromido[N,N'-bis-(2-pyridylmethyl-ene)propane-1,3-diamine]manganese(II) bromide-dibromido[N,N'-bis-(2-pyridylmethyl-ene)propane-1,3-diamine]manganese(II) (1/2/1).

作者信息

Hwang In-Chul, Ha Kwang

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 13;65(Pt 1):m64-5. doi: 10.1107/S1600536808041731.

Abstract

There are three different Mn(II) complexes in the asymmetric unit of the title compound, [Mn(C(15)H(16)N(4))(H(2)O)(2)]Br(2)·2{[MnBr(C(15)H(16)N(4))(H(2)O)]Br}·[MnBr(2)(C(15)H(16)N(4))]. In the neutral complex, the Mn(2+) ion is six-coordinated in a distorted octa-hedral environment by four N atoms of the tetra-dentate ligand N,N'-bis-(2-pyridylmethyl-ene)propane-1,3-diamine (bppd) and two bromide ligands. In the two cationic complexes, the Mn(2+) 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 mol-ecule, 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 H(2)O 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 inter-molecular O-H⋯Br hydrogen bonding. There are inter-molecular π-π inter-actions between adjacent pyridine rings, with centroid-centroid distances of 3.822 and 3.833 Å, and a C-H⋯O inter-action is also present.

摘要

标题化合物[Mn(C₁₅H₁₆N₄)(H₂O)₂]Br₂·2{[MnBr(C₁₅H₁₆N₄)(H₂O)]Br}·[MnBr₂(C₁₅H₁₆N₄)]的不对称单元中有三种不同的Mn(II)配合物。在中性配合物中,Mn²⁺离子在扭曲的八面体环境中通过四齿配体N,N'-双-(2-吡啶基亚甲基)丙烷-1,3-二胺(bppd)的四个N原子和两个溴配体进行六配位。在两种阳离子配合物中,Mn²⁺离子也在类似环境中进行六配位,但一个Mn离子由bppd的四个N原子、一个Br原子和一个配位水分子的一个O原子配位,而另一个Mn离子由bppd的四个N原子和水配体的两个O原子配位。具有两个配位Br原子或两个H₂O配体的配合物分别围绕通过Mn和C原子的二重轴排列在特殊位置(, y, 0)和(0, y, )。该化合物表现出分子间O-H⋯Br氢键。相邻吡啶环之间存在分子间π-π相互作用,质心间距为3.822 Å和3.833 Å,并且还存在C-H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/523e/2967905/3e163f765646/e-65-00m64-fig1.jpg

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