1-phenylglyoxal bis(3-piperidylthiosemicarbazone) | 197432-29-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-phenylglyoxal bis(3-piperidylthiosemicarbazone)
• 英文别名: N-[[2-phenyl-2-(piperidine-1-carbothioylhydrazinylidene)ethylidene]amino]piperidine-1-carbothioamide
• CAS: 197432-29-4
• 化学式: C₂₀H₂₈N₆S₂
• 分子量: 416.615
• InChiKey: XRGYHCAZIJPKDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-phenylglyoxal bis(3-piperidylthiosemicarbazone) 、 锌 以 乙腈 为溶剂， 以62%的产率得到bis(1-phenylglyoxal bis(3-piperidylthiosemicarbazone)zinc(II))
  参考文献：
  名称：

  Structural study of the electrochemically synthesized binuclear complex bis{1-phenylglyoxal bis(3-piperidylthiosemicarbazone)zinc(II)}

  摘要：

  The binuclear complex bis{1-phenylglyoxal bis(3-piperidylthiosemicarbazone)zinc(II)}, [Zn(C20H26N6S2)](2) was synthesized using an electrochemical method, and has been structurally characterized. Crystal data for [Zn(C20H26N6S2)](2): orthorhombic, space group Pbcn with a = 11.4785(6), b = 18.5478(7), c = 20.1133(14) Angstrom, Z = 8, V = 4282.1(4) Angstrom(3), R-1 = 0.0433 on 4365 unique reflections. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00225-x

文献信息

• Structural and spectral studies of 1-phenylglyoxal bis(3-piperidylthiosemicarbazone) and its zinc(II), cadmium(II) and platinum(II) complexes
  作者：Alfonso Castiñeiras、Elena Bermejo、Douglas X West、Lily J Ackerman、Jesús Valdés-Martı́nez、Simon Hernández-Ortega

  DOI：10.1016/s0277-5387(99)00006-6

  日期：1999.3

  Zinc(II) and platinum(II) complexes of l-phenylglyoxal bis(3-piperidylthiosemicarbazone), H(2)Pgpip, have been prepared and the crystal structures of H(2)Pgpip and the two metal complexes have been solved. The two arms of H(2)Pgpip are on the same side of the carbon-carbon backbone and the N(2)H of the phenyl arm hydrogen bonds to the azomethine nitrogen of the aldehyde arm. Loss of the N(2)H hydrogens from both thiosemicarbazone moieties occurs for [Pt(Pgpip)], resulting in coordination of the dianion Pgpip as a tetradentate N2S2 ligand with the expected 5-5-5-chelate ring system. However, [Zn(HPgpip)Cl] involves the monoanion HPgpip on loss of the phenyl arm's N(2)H, resulting in a five-coordinate complex with coordination of the two azomethine nitrogens, a thione sulfur (aldehyde arm), a thiolato sulfur (phenyl arm) and an axial chloro ligand in an approximately square pyramidal arrangement. (C) 1999 Elsevier Science Ltd. All rights reserved.