Hg₂(N,N'-bis((pyridin-2-yl)benzylidene)ethane-1,2-diamine)I₄ | 1415023-58-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: Hg₂(N,N'-bis((pyridin-2-yl)benzylidene)ethane-1,2-diamine)I₄
• 英文别名: mercury(2+);1-phenyl-N-[2-[[phenyl(pyridin-2-yl)methylidene]amino]ethyl]-1-pyridin-2-ylmethanimine;tetraiodide
• CAS: 1415023-58-3
• 化学式: C₂₆H₂₂Hg₂I₄N₄
• 分子量: 1299.29
• InChiKey: HRZOZYCLSGRQFB-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -7.14
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  50.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N,N’-(ethane-1,2-diyl)bis(1-phenyl-1-(pyridin-2-yl)methanimine) 、 mercury(II) iodide 以 甲醇 、 乙腈 为溶剂， 以75%的产率得到Hg₂(N,N'-bis((pyridin-2-yl)benzylidene)ethane-1,2-diamine)I₄
  参考文献：
  名称：

  Syntheses, structures, and properties of two luminous mercury(II) halide compounds containing a tetradentate N-donor Schiff base

  摘要：

  A 1D coordination polymer [Hg-2(L)Br-4](n) (1) and one dinuclear compound [Hg-2(L)I-4] (2) [L = N,N'-(bis(pyridin-2-yl)benzylidene)ethane-1,2-diamine] are isolated using a 2:1 M ratio of HgBr2/HgI2 and Schiff base (L) in methanol-acetonitrile solution mixture and X-ray crystallographically characterized. Structural analyses show that in 1 1D chain is formed through binucleating bis(bidentate) bridging behavior of L and asymmetric Hg-(mu-Br)(2)-Hg bridges in an alternate fashion; one terminal bromide unit completes the distorted square pyramidal geometry around each mercury(II). In 2, two mercury(11) centers are connected by bis(bidentate) bridging behavior of L and two iodides bound to each metal(11) center remain as terminal resulting in a discrete dinuclear entity with distorted tetrahedral geometry. Weak intermolecular Hg center dot center dot center dot I and I center dot center dot center dot I interactions in 2 promote dimensionality. In DMF solutions, 1 and 2 display intraligand (1)(pi-pi*) fluorescence. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.03.027