bis(2,9-dimethyl-1,10-phenanthroline-κ2N,N')copper(I) dicyanamide | 869058-22-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: bis(2,9-dimethyl-1,10-phenanthroline-κ2N,N')copper(I) dicyanamide
• 英文别名: [Cu(dmp)2]dca；copper(1+);cyanoiminomethylideneazanide;2,9-dimethyl-1,10-phenanthroline
• CAS: 869058-22-0
• 化学式: C₂N₃*C₂₈H₂₄CuN₄
• 分子量: 546.113
• InChiKey: FQISYWJMJWHCSV-UHFFFAOYSA-N

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：
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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：

  新铜试剂 、 sodium dicyanamide 、 copper(l) chloride 以 乙醇 、 水 为溶剂， 生成 bis(2,9-dimethyl-1,10-phenanthroline-κ2N,N')copper(I) dicyanamide
  参考文献：
  名称：

  Two novel bis(2,9-dimethyl-1,10-phenanthroline)copper(I) complexes: [Cu(dmp)₂]₂(PF₆)₂·0.5(bpmh)·CH₃CN and [Cu(dmp)₂][N(CN)₂]

  摘要：

  Two new salts of the cation [Cu-I( dmp)(2)](+) (dmp is 2,9- dimethyl-1,10- phenanthroline, C14H12N2), namely bis[ bis(2,9-dimethyl-1,10- phenanthroline-kappa(2) N, N') copper( I)] bis( hexafluorophosphate) hemi[ bis(4-pyridylmethylidene) hydrazine] acetonitrile solvate, [Cu(C14H12N2)(2)](2)(PF6)(2) center dot 0.5C(12)H(10)N(4) center dot C2H3N or [Cu( dmp)(2)](2)(PF6)(2) center dot 0.5(bpmh) center dot CH3CN [bpmh is bis(4-pyridylmethylidene) hydrazine, C12H10N4], ( I), and bis( 2,9-dimethyl- 1,10- phenanthroline-kappa(2) N, N') copper( I) dicyanamide, [Cu(C14H12N2)(2)](C2N3) or [Cu( dmp)(2)][N(CN)(2)], ( II), are reported. The Cu - N bond lengths and the distortion from idealized tetrahedral geometry of the dmp ligands are discussed and compared with related compounds. The bpmh molecule in ( I) is pi-pi stacked with a dmp ligand at a distance of 3.4 angstrom, rather than coordinated to the metal atom. The molecule lies across an inversion center in the crystal. In ( II), the normally coordinated dicyanamide molecule is present as an uncoordinated counter-ion.

  DOI：

  10.1107/s0108270105010760