pyridine-2-carbaldehyde-N(4)-methyl-N(4)-phenyl thiosemicarbazone | 959859-27-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: pyridine-2-carbaldehyde-N(4)-methyl-N(4)-phenyl thiosemicarbazone
• 英文别名: pyridine-2-carbaldehyde N(4)-methyl-N(4)-phenylthiosemicarbazone
• CAS: 959859-27-9
• 化学式: C₁₄H₁₄N₄S
• 分子量: 270.358
• InChiKey: ZVOBTKQWDHRPIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.43
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  40.52
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  manganese(II) perchlorate hexahydrate 、 pyridine-2-carbaldehyde-N(4)-methyl-N(4)-phenyl thiosemicarbazone 以 乙醇 为溶剂， 生成 Mn(pyridine-2-carbaldehyde-N(4)-methyl-N(4)-phenylthiosemicarbazonate)2*3H2O
  参考文献：
  名称：

  Syntheses and EPR spectral studies of manganese(II) complexes derived from pyridine-2-carbaldehyde based N(4)-substituted thiosemicarbazones: Crystal structure of one complex

  摘要：

  Five manganese(II) complexes {[MnL21] center dot H2O center dot EtOH (1), [Mn(L-1)(HL1)]OAc (2), [MnL22] center dot 3H(2)O (3), [MnL23] center dot 3H(2)O (4) and [Mn(HL3)(2)](SCN)(2) center dot MeOH (5)} of three NNS donor N(4)-substituted thiosemicarbazone ligands (pyridine-2-carbaldehyde N(4)p-methoxyphenyl thiosemicarbazone [HL1], pyridine-2-carbaldehyde N(4)-2-phenethyl thiosemicarbazone [HL2] and pyridine-2-carbaldehyde N(4)-methyl, N(4)-phenyl thiosemicarbazone [HL3]) were synthesized and physico-chemically characterized. Compound 1 crystallized as [MnL21] center dot H2O and its structure has been determined by X-ray diffraction studies. It is found to have a distorted octahedral geometry. EPR spectra in DMF solutions at 77 K show hyperfine sextets with low intensity forbidden lines lying between each of the two main hyperfine lines. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.07.028

文献信息

• Copper(II) complexes of N(4)-substituted thiosemicarbazones derived from pyridine-2-carbaldehyde: Crystal structure of a binuclear complex
  作者：P.F. Rapheal、E. Manoj、M.R. Prathapachandra Kurup

  DOI：10.1016/j.poly.2006.09.091

  日期：2007.3

  Ten copper(II) complexes [(CuLCl)-Cl-1] (1), [(CuLNO3)-N-1](2) (2), [(CuLN3)-N-1](2) center dot 2/3HO (3), [CuL1](2)(ClO4)(2) center dot 2H(2)O (4), [(CuLCl)-Cl-2](2) (5), [(CuLN3)-N-2] (6), [Cu(HL2)SO4](2) center dot 4H(2)O (7), [Cu(HL2)(2)] (ClO4)(2) center dot 1/2EtOH (8), [(CuLCl)-Cl-3](2) (9), [CuL3 NCS] center dot 1/2H(2)O (10)) of three NNS donor thiosemicarbazone ligands pyridine-2-carbaldehyde-N(4)-p-methoxyphenyl thiosemicarbazone [HL1], pyridine-2-carbaldehyde-N(4)-2-phenethyl thiosemicarbazone [HL2] and pyridine-2-carbaldehyde N(4)-(methyl), N(4)-(phenyl) thiosernicarbazone [HL3]) were synthesized and physico-chemically characterized. The crystal structure of compound 9 has been determined by X-ray diffraction studies and is found that the dimer consists of two square pyramidal Cu(II) centers linked by two chlorine atoms. (c) 2006 Elsevier Ltd. All rights reserved.