[piperazine+H]2[nickel(thiocyanate)4] | 767295-83-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: [piperazine+H]2[nickel(thiocyanate)4]
• 英文别名: [pipH]2[Ni(NCS)4]；trans-[Ni(NCS)4(piperazine+H)2]；trans-[Ni(NCS)4(PpzH)2]
• CAS: 767295-83-0；96982-03-5
• 化学式: C₁₂H₂₂N₈NiS₄
• 分子量: 465.314
• InChiKey: IEYBTOFOGNDHJC-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  哌嗪 、 nickel(II) chloride hexahydrate 、 potassium thioacyanate 以 甲醇 为溶剂， 以60%的产率得到[piperazine+H]2[nickel(thiocyanate)4]
  参考文献：
  名称：

  Pseudohalide supported mononuclear trans-NiII complexes of cationic and neutral dinitrogen heterocycles

  摘要：

  Two mixed ligand complexes trans-[Ni(NCS)(4)(PpzH)(2)] (1) and trans-[Ni(NCO)(2)(Imd)(4)] (2) (where Ppz = piperazine; Imd = imidazole) were synthesized from one-pot reactions, and their crystal and molecular structures were determined. The reaction of NiCl2 center dot 4H(2)O with piperazine and KSCN in a 1:2:4 mole ratio in aqueous MeOH at room temperature under stirring condition affords 1. Whereas the reaction of NiCl2 center dot 6H(2)O with imidazole and NaOCN in a 1:4:2 mole ratio in aqueous MeOH at room temperature under stirring condition yields 2 quantitatively. The nickel ions are hexacoordinated by six nitrogen donor atoms of two different origin, thiocyanate and piperazinium ions in case of 1 and cyanate ion and neutral imidazole in case of 2, to form tetragonally elongated and quite regular octahedral arrangements. In 1, the average Ni-Nppz distance is 2.198 angstrom is longer than the average Ni-N-thc distance at 2.070 angstrom, whereas, in case of 2, the average Ni-N-imd distance at 2.112 angstrom and is close to the average Ni-N-cyt distance at 2.107 angstrom. The reactions in other varying stoichiometries failed to provide the hitherto unknown complexes [Ni(NCS)(2)(Ppz)(4)] and [Ni(NCO)(4)(ImdH)(2)] confirming the ease of protonation on non-bonding of piperazine is more compared to that of imidazole. (C) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.04.008

文献信息

• Syntheses of fluorescent thiocyanate supramolecular compounds with unusual two-dimensional structures
  作者：Hai-Ying Bie、Jing Lu、Jie-Hui Yu、Ji-Qing Xu、Kui Zhao、Xiao Zhang

  DOI：10.1016/j.jssc.2005.01.027

  日期：2005.5

  Three novel thiocyanate supramolecular compounds have been synthesized and characterized by X-ray diffraction and fluorescent spectra. Compound [pipH](2)[Co(NCS)(4)] (pip = ppiperazine) 1 possesses a two-dimensional layer connected by the combination of N-H center dot center dot center dot N hydrogen bonds and weak S center dot center dot center dot S contacts. Under the same conditions, using nickel salt instead of cobalt salt as a starting material, we obtained a different two-dimensional supramolecular layer [pipH](2)[Ni(NCS)(4)] 2 connected by unusual N-H center dot center dot center dot S hydrogen bonds and weak S center dot center dot center dot S contacts. In order to observe the influence of the dimension of ligand on the self-assembly structure, dabco was used for substituting pip, and compound [dabcoH](2)[Ni(NCS)(4)] (dabco = 1,4-Diazabicyclo[2.2.2] octane) 3 was gained, which constructed two-dimensional, highly wavy network with hourglass-shaped cavities only through N-H center dot center dot center dot S hydrogen bonds. (c) 2005 Elsevier Inc. All rights reserved.