[Cu2(μ2-O2H)(N,N'-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedi-carboxamide(-2H))2]*DMF*H2O | 1257940-00-3

• 英文名称: [Cu2(μ2-O2H)(N,N'-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedi-carboxamide(-2H))2]*DMF*H2O
• 英文别名: [Cu2(μ2-O2H)(btapca)2]*DMF*H2O
• CAS: 1257940-00-3
• 化学式: C₃H₇NO*C₂₂H₁₂Cu₂N₁₄O₅S₄*H₂O
• 分子量: 898.894
• InChiKey: YWLWMPHDCVEXSG-UHFFFAOYSA-J

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：

  copper(II) choride dihydrate 、 N,N'-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide 、 水 、 N,N-二甲基甲酰胺 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 以52%的产率得到[Cu2(μ2-O2H)(N,N'-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedi-carboxamide(-2H))2]*DMF*H2O
  参考文献：
  名称：

  Pyridyldicarboxamide-based multinuclear complexes: Syntheses, structural characterizations, and magnetic properties

  摘要：

  Using the pyridine dicarboxamide derivative N,N'-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedi-carboxamide (H-2-btapca) as ligand, two novel polynuclear complexes: dimeric {[Cu-2(mu(2)-O2H)(btapca)(2)]center dot DMF center dot H2O} (1) and tetrameric {[Ni-4((mu(2)-O2H)(2)(btapca)(4))]center dot DMF center dot MeOH center dot 3.5H(2)O} (2) were obtained. In complex 1, two center Cu(II) ions are bounded by two btapca ligands and one aqueous molecule acting as a mu(2)-H2O bridge connect them together. Complex 2 is a tetrameric complex, in which the based backbone is an assumed Ni-4 tetrahedron with two mu(2)-O2H bridges existing inside the tetrahedron forming a basic [Ni-2(mu(2)-O2H)](2) core, which are surrounded by four btapca ligands. The magnetic properties of the two polynuclear complexes were determined, the results show that for both of the two complexes, the overall weak ferromagnetic exchange interactions between central metal ions are evident, the best fitting parameters are: J = 7.47 cm (1) (g = 2.21) for dimeric Cu(II) complex 1, and 2J(1) = 4.8 cm (1), 2J(2) = -0.00204 cm (1)(g = 2.14, zJ' = 0.00077 cm (1)) for tetrameric Ni(II) complex 2. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.07.063