Cu((9'-fluorene)-spiro-5-dithiohydantoin(-H))2*2water | 1101168-51-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: Cu((9'-fluorene)-spiro-5-dithiohydantoin(-H))2*2water
• CAS: 1101168-51-7
• 化学式: C₃₀H₂₂CuN₄O₂S₄
• 分子量: 662.34
• InChiKey: CBMMJZOKDVQMBN-UHFFFAOYSA-L

计算性质

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

反应信息

• 作为产物：
  描述：

  spiro[fluorene-9,4′-imidazolidine]-2′,5′-dithione 、 copper diacetate 以 甲醇 为溶剂， 生成 Cu((9'-fluorene)-spiro-5-dithiohydantoin(-H))2*2water
  参考文献：
  名称：

  Synthesis and characterization of copper(II) and nickel(II) complexes of (9′-fluorene)-spiro-5-dithiohydantoin

  摘要：

  Synthesis and structural characterization of new Cu(II) and Ni(II) complexes of (9'-fluorene)-spiro-5-dithiohydantoin are reported. All compounds were studied by means of experimental (C-13 CPMAS NMR, EPR. IR) and quantum-chemical (DFT/B3LYP-6-31G(d,p)) methods. Based on the experimental data, supported by theoretical calculation, the most probable structure of the complexes is suggested. The paramagnetic Cu(II) complex has distorted tetrahedral structure with two water and two ligand molecules coordinated to the metal ion. For the Ni(II) complex square planar geometry is suggested with two ligand molecules coordinated in a bidentate fashion. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.04.053