(di-2-pyridylamine-κ2N,N')(3-oxidonaphthalene-2-carboxylato-κ2O,O')palladium(II) | 852715-61-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (di-2-pyridylamine-κ2N,N')(3-oxidonaphthalene-2-carboxylato-κ2O,O')palladium(II)
• 英文别名: (di-2-pyridylamine-kappa^2^N,N')(2-oxidonaphthalene-3-carboxylato-kappa^2^O,O')palladium(II)；3-oxidonaphthalene-2-carboxylate;palladium(2+);N-pyridin-2-ylpyridin-2-amine
• CAS: 852715-61-8
• 化学式: C₂₁H₁₅N₃O₃Pd
• 分子量: 463.788
• InChiKey: UTKWMAROUVAYJE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.49
• 重原子数：
  28
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2'-二吡啶胺 、 palladium diacetate 、 2-羟基-3-萘甲酸 以 N,N-二甲基甲酰胺 为溶剂， 生成 (di-2-pyridylamine-κ2N,N')(3-oxidonaphthalene-2-carboxylato-κ2O,O')palladium(II)
  参考文献：
  名称：

  (Di-2-pyridylamine-κ²N,N′)(naphthalene-2,3-diolato-κ²O,O′)palladium(II) monohydrate and (di-2-pyridylamine-κ²N,N′)(3-oxidonaphthalene-2-carboxylato-κ²O,O′)palladium(II)

  摘要：

  In the title complexes, [Pd(C10H6O2)(C10H9N3)] . H2O, ( I), and [Pd(C11H6O3)(C10H9N3)], ( II), the Pd-II centers have a distorted cis-square-planar geometry. In ( I), the Pd-II atom is coordinated to two N atoms of the di-2-pyridylamine (DPA) ligand and two O atoms of the naphthalene-2,3-diolate (ND) dianion. In ( II), the Pd II atom is coordinated to two N atoms of the DPA ligand, one carboxylate O atom and one oxide O atom from the 3-oxidonaphthalene-2-carboxylate (NC) ligand. The dihedral angle between the planes of the two pyridine rings of DPA in ( I) is 16.20 ( 12)degrees and that in ( II) is 29.45 ( 10) degrees. In ( I), the molecules are linked by N - H ... O and O - H ... O hydrogen bonds to generate centrosymmetric dimers. In ( II), molecules are linked by N - H ... O and C H ... O hydrogen bonds to generate spirals.

  DOI：

  10.1107/s010827010403197x