Cu2(bis-(5-tetrazolyl)amine(-2H))2(H2O)4 | 1366133-24-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: Cu2(bis-(5-tetrazolyl)amine(-2H))2(H2O)4
• CAS: 1366133-24-5
• 化学式: C₄H₁₀Cu₂N₁₈O₄
• 分子量: 501.334
• InChiKey: AQLSKASJYHCUSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  水 、 copper diacetate 、 双(5-四唑基)胺 以 水 为溶剂， 以60%的产率得到Cu2(bis-(5-tetrazolyl)amine(-2H))2(H2O)4
  参考文献：
  名称：

  Synthesis, structure, magnetic properties and DFT calculations of novel bis-(5-tetrazolyl)amine copper(II) complexes

  摘要：

  Four new multidimensional copper(II) complexes [Cu(BTA)(2,2'-bipy)H2O] (1), [Cu(BTA)(1,10'-phen)] (2), [Cu-2(BTA)(2)(H2O)(4)] (3) and [Cu(BTA)(en)](n) (4) have been synthesized by conventional and hydrothermal reactions of the bis(5-tetrazolyl) amine (H(2)BTA) with copper(II) salts in the presence of different ancillary ligands. X-ray diffraction studies on these compounds show 1 and 2 are mononuclear entities, in which the BTA ligand acts in a chelate coordination mode and the copper atoms exhibit a coordination environment intermediate between trigonal-bipyramidal and square-pyramidal for 1 and between square-planar and tetrahedral for 2. Complex 3 consists of centrosymmetric dinuclear molecules with the ligand acting in a mu(2)-1,1': 2 chelate/bridging tridentate coordination mode and 4 is a linear zigzag neutral chain bearing a BTA bridging ligand in a mu(2)-1,1': 3 chelate/bridging tridentate coordination mode. Complexes 3 and 4 exhibit antiferromagnetic and very weak ferromagnetic interactions, respectively. DFT calculations have been performed in order to explain their respective magnetic behaviors. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.12.040