7-(3,5-dichloro-2-pyridylazo)-8-hydroxyquinoline-5-sulfonic acid | 130313-73-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7-(3,5-dichloro-2-pyridylazo)-8-hydroxyquinoline-5-sulfonic acid
• 英文别名: 7-[(3,5-Dichloropyridin-2-yl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid
• CAS: 130313-73-4
• 化学式: C₁₄H₈Cl₂N₄O₄S
• 分子量: 399.214
• InChiKey: PQXBCCTVTTULOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  nickel(II) perchlorate hexahydrate 、 7-(3,5-dichloro-2-pyridylazo)-8-hydroxyquinoline-5-sulfonic acid 在 HClO₄ 作用下， 以 水 为溶剂， 以28%的产率得到tetranickel(II)(pahqs)4(H2O)4*20H2O
  参考文献：
  名称：

  Synthesis, Crystal Structure, and Property of Novel Tetranuclear Nickel(II) Complex with Multidentate Ligand 7-[(3,5-Dichloro-2-pyridyl)azo]-8-hydroxyquinoline-5-sulfonic Acid

  摘要：

  Reaction of nickel(II) perchlorate with the title ligand (Hpahqs) in aqueous solution followed by standing for about six months produces a complex having the formulation [Ni4(pahqs)4(H2O)4]·20H2O. A single crystal X-ray analysis revealed that the complex contained the four nickel(II) and four ligand molecules and showed a novel structure of oxygen bridged tetranuclear nickel(II) complex. Crystal data: triclinic, space group P\bar1, a=17.884(7), b=22.071(8), c=12.819(8) Å, α=100.77(4)°, β=92.55(4)°, γ=71.46(4)°, Z=2. Except one N atom in each azo-group, all the other donor atoms in the ligand were fully used in coordination to nickel(II), forming either N,N,O- or N,O-chelate rings, simultaneously. The geometry around each of the four nickel(II) was distorted octahedron. The bond lengths of N1–N(N atoms in N,N,O-terdentate moieties) were elongated compared with those of the corresponding complex, and the lengths of N1–N(N atoms in quinoline rings) were kept almost similar values to those of the Ni(II)-8-hydroxyquinoline complex. The bond lengths of Ni–O were elongated compared with those of the nickel(II) complexes with either N,N,O- or N,O-chelate rings, resulting in the contraction of the angles of N–Ni–N or N–Ni–O. The angles of Ni–O–Ni around four nickel(II) sites were ca. 140°. The antiferromagnetic exchange interaction was operating between the four nickel(II) via bridging oxygen atoms.

  DOI：

  10.1246/bcsj.64.2464