aqua(dipicolinato-κ3O(2),N,O(6))-(1,10-phenanthroline-κ2N,N')manganese(II) monohydrate | 494769-71-0

• 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: aqua(dipicolinato-κ3O(2),N,O(6))-(1,10-phenanthroline-κ2N,N')manganese(II) monohydrate
• 英文别名: manganese(2+);1,10-phenanthroline;pyridine-2,6-dicarboxylate;dihydrate
• CAS: 494769-71-0
• 化学式: C₁₉H₁₃MnN₃O₅*H₂O
• 分子量: 436.283
• InChiKey: QOODKUOSWVLITD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.06
• 重原子数：
  29
• 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：
  121
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 manganese(II) chloride tetrahydrate 、 sodium dipicolinate 以 乙醇 、 水 为溶剂， 生成 aqua(dipicolinato-κ3O(2),N,O(6))-(1,10-phenanthroline-κ2N,N')manganese(II) monohydrate
  参考文献：
  名称：

  Aqua(dipicolinato-κ³O²,N,O⁶)(1,10-phenanthroline-κ²N,N′)manganese(II) monohydrate

  摘要：

  In the title compound [systematic name: aqua(1,10-phenanthroline-kappa(2)N,N')(pyridine-2,6-dicarboxylato-kappa(3)O(2),N,O-6)-manganese(II) monohydrate, [Mn(C7H3NO4)(C12H8N2)-(H2O)].H2O, the manganese(II) centre is surrounded by one bidentate phenanthroline ligand [Mn-N = 2.248 (3) and 2.278 (3) Angstrom], one tridentate dipicolinate ligand [Mn-N = 2.179 (3) Angstrom, and Mn-O = 2.237 (2) and 2.266 (2) Angstrom] and one water molecule [Mn-O = 2.117 (3) Angstrom], and it exhibits a strongly distorted octahedral geometry, with trans angles ranging from 144.12 (9) to 158.88 (11)degrees. Extensive intermolecular hydrogen-bonding interactions involving coordinated and uncoordinated water molecules and the carboxyl O atoms of the dipicolinate ligand, as well as a stacking interaction involving the phenanthroline rings, are observed in the crystal structure.

  DOI：

  10.1107/s010827010201822x