trans-bis[N-(2-hydroxyethyl)ethylenediamine-κ2N,N']bis(isothiocyanato-κN)nickel(II) | 108146-47-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: trans-bis[N-(2-hydroxyethyl)ethylenediamine-κ2N,N']bis(isothiocyanato-κN)nickel(II)
• 英文别名: trans-bis(aminoethylaminoethanol-N,N')bis(isothiocyanato)nickel(II)
• CAS: 108146-47-0；31222-91-0
• 化学式: C₁₀H₂₄N₆NiO₂S₂
• 分子量: 383.162
• InChiKey: HGSWIYQAOFUCBC-UHFFFAOYSA-N

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：

  羟乙基乙二胺 、 nickel(II) perchlorate hexahydrate 在 NaNSC 作用下， 以 甲醇 为溶剂， 生成 trans-bis[N-(2-hydroxyethyl)ethylenediamine-κ2N,N']bis(isothiocyanato-κN)nickel(II)
  参考文献：
  名称：

  Sanni, S. Bamidele; Behm, H.; Garcia-Granda, S., Acta Crystallographica, Section C: Crystal Structure Communications, 1987, vol. 43, p. 437 - 439

  摘要：

  DOI：

文献信息

• <i>trans</i>-Bis[<i>N</i>-(2-hydroxyethyl)ethylenediamine-κ²<i>N</i>,<i>N</i>′]bis(isothiocyanato-κ<i>N</i>)nickel(II)
  作者：Ahmet Karadag、Ahmet Bulut、Orhan Büyükgüngör

  DOI：10.1107/s010827010401488x

  日期：2004.8.15

  The crystal structure of the title compound, [Ni(NCS)(2)(C4H12N2O)(2)], has two crystallographically independent half-molecules in the asymmetric unit, with each Ni atom residing on a centre of symmetry. The two molecules exhibit similar coordination geometry but display differences with regard to other structural features. Each Ni-II centre is octahedrally coordinated by two mutually trans chelating hydroxyethylethylenediamine ligands and two mutually trans isothiocyanate ions. The two independent molecules form chains through different types of non-covalent interactions. In the case of one of the molecules, only NCS and free OH groups participate in hydrogen bonding, while in the chain based on the second molecule, the NCS, NH, NH2 and free OH groups are involved in intermolecular hydrogen bonding. The two chains interact with one another through hydrogen bonding, forming planar sheets. The third packing direction is mediated only by van der Waals interactions.