bis-(μ2-methylquinolin-8-olato)-κ3N,O:O;κ3O:N,O-bis-[(isothiocyanato-κN)lead(II)] | 1239605-13-0

• 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: bis-(μ2-methylquinolin-8-olato)-κ3N,O:O;κ3O:N,O-bis-[(isothiocyanato-κN)lead(II)]
• 英文别名: bis-(μ2-methylquinolin-8-olato)-κ3N,O:O;κ3O:N,O-bis-[(isothiocyanato-κN)lead(II)] C22H16N4O2Pb2S2, triclinic
• CAS: 1239605-13-0
• 化学式: C₂₂H₁₆N₄O₂Pb₂S₂
• 分子量: 846.927
• InChiKey: ZHNIRMPRJFQHIU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.79
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  8-羟基喹哪啶 、 lead(II) nitrate 、 potassium thioacyanate 以 甲醇 为溶剂， 生成 bis-(μ2-methylquinolin-8-olato)-κ3N,O:O;κ3O:N,O-bis-[(isothiocyanato-κN)lead(II)] 、 bis-(μ2-methylquinolin-8-olato)-κ3N,O:O;κ3O:N,O-bis-[(isothiocyanato-κN)lead(II)]
  参考文献：
  名称：

  Two polymorphs of a lead(II) complex with 8-hydroxy-2-methylquinoline and thiocyanate

  摘要：

  Two distinct polymorphs of bis(mu(2)-methylquinolin-8-olato)-kappa(3)N,O:O;kappa(3)O:N,O-bis[(isothiocyanato-kappa N)lead(II)], [Pb(2)(C(10)-H(8)NO)(2)(NCS)(2)], (I), forming dinuclear complexes from a methanolic solution containing lead(II) nitrate, 2-methyl-quinolin-8-ol (M-Hq) and KSCN, crystallized concomitantly as colourless prisms [form (Ia)] and long thin colourless needles [form (Ib)]. In both cases, the complexes lie across a centre of inversion. The polymorphs differ substantially in their conformation and in their interactions, viz. Pb center dot center dot center dot S and pi-pi for form (Ia) and Pb center dot center dot center dot S, Pb center dot center dot center dot pi and C-H center dot center dot center dot pi for form (Ib).

  DOI：

  10.1107/s010827011000096x