diaquo-diammine-bis(3,4'-bi-1,2,4-triazole) copper(II) | 1264546-69-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: diaquo-diammine-bis(3,4'-bi-1,2,4-triazole) copper(II)
• 英文别名: Cu(bTA(1-))2(NH3)2(H2O)2
• CAS: 1264546-69-1
• 化学式: C₈H₁₆CuN₁₄O₂
• 分子量: 403.854
• InChiKey: WHXVJYFJNIGLLV-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：

  氨 、 3,4'-bi-1,2,4-triazole 、 copper(II) nitrate trihydrate 以92%的产率得到diaquo-diammine-bis(3,4'-bi-1,2,4-triazole) copper(II)
  参考文献：
  名称：

  Synthesis and structure of a new copper(II) complex with 3,4′-bi-1,2,4-triazolate

  摘要：

  The salt diaquo-diammine-bis(3,4'-bi-1,2,4-triazolate) copper(II) of the formula [Cu(bTA(-))(2)(NH3)(2) (H2O)(2)] has been synthesized and structurally characterized by X-ray single crystal diffraction analysis. This complex adopts a monomeric structure. This monomer crystallizes in the triclinic system, space group P (1) over bar with a = 5.9657 angstrom; b = 6.8975 angstrom; c = 9.9892 angstrom; alpha = 106.181 degrees; beta = 97.868 degrees; gamma = 90.800 degrees and Z = 1. The Cu atom is coordinated by two nitrogen atoms of two monodentate bitriazolate ligands, two nitrogen atoms of NH3 and two water molecules in a distorted octahedral geometry. The complex has been also characterized by elemental analysis and studied by electronic and vibrational spectroscopy. The obtained results are in good agreement with the structure determined by X-ray diffraction analysis. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.11.012