bis(hexafluoroacetylacetonato)(3-amino-1,2,4-triazine)copper(II) | 1178586-86-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: bis(hexafluoroacetylacetonato)(3-amino-1,2,4-triazine)copper(II)
• CAS: 1178586-86-1
• 化学式: C₁₆H₁₀CuF₁₂N₈O₄
• 分子量: 669.833
• InChiKey: KZGDOAJDJFLKTA-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：

  1,2,4-三嗪-3-胺 、 copper(II) hexafluoroacetylacetonate hydrate 以 二氯甲烷 为溶剂， 生成 bis(hexafluoroacetylacetonato)(3-amino-1,2,4-triazine)copper(II) 、 hexakis(hexafluoroacetylacetonato)bis(3-amino-1,2,4-triazine)tricopper(II)
  参考文献：
  名称：

  Copper(II) complexes of 3-amino-1,2,4-triazine and 2-aminopyrazine: Strategies for designing crystalline materials using coordination polymers

  摘要：

  Reaction of 3-amino-1,2,4-triazine (3-atz) or 2-aminopyrazine (2-apz) with Cu(hfac)(2)center dot xH(2)O led to the formation of the monometallic and trimetallic complexes Cu(hfac)(2)(3-atz)(2) (1), Cu-3(hfac)(6)(3-atz)(2) (2), Cu(hfac)(2)(2-apz)2 (3) and Cu-3(hfac)(6)(2-apz)(2) (4). The azine molecules behave as both monodentate and bridging bidentate ligands. The Cu(II) ions exhibit a range of coordination geometries. In 1 and 3, the complex is distorted octahedral with the Jahn-Teller axis lying along one of the O-Cu-O axes. In 2 and 4, the central Cu( II) ion is also distorted octahedral with the Jahn-Teller axis lying along the N-Cu-N axis, while the terminal Cu(II) ions are five-coordinate. Structure analysis reveals that addition of the amino-substituent makes the ligands more coordinating, leading to shorter CuAN bonds. In the case of 4, this results in a stronger magnetic superexchange pathway and the complex exhibits antiferromagnetic behavior at low temperatures. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.05.031