pyridine-2-carbaldehyde-N(4)-(methyl),N(4)-(phenyl) thiosemicarbazone | 929707-83-5

• 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: 1-methyl-1-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]thiourea
• CAS: 929707-83-5
• 化学式: C₁₄H₁₄N₄S
• 分子量: 270.358
• InChiKey: ZVOBTKQWDHRPIG-WJDWOHSUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  pyridine-2-carbaldehyde-N(4)-(methyl),N(4)-(phenyl) thiosemicarbazone 、 cobalt(II) perchlorate hexahydrate 以 甲醇 为溶剂， 生成 [Co(III)(pyridine-2-carbaldehyde-N(4)-methyl,N(4)-phenyl thiosemicarbazone-1H)2]ClO4*H2O
  参考文献：
  名称：

  Structural and spectral studies of novel Co(III) complexes of N(4)-substituted thiosemicarbazones derived from pyridine-2-carbaldehyde

  摘要：

  Seven bis(ligand) Co(III) complexes {[CoL21]NO3 (.) H2O (1), [CoL21]Cl (.) 2H(2)O (2),[CoL21]ClO4, (3), [CoL22]NO3 (4), [CoL22]Cl. 2H(2)O (5), [CoL23]Br (.) 2H(2)O (6), [CoL23]ClO4 (.) H2O (7)} of three thiosemicarbazone ligands {pyridine-2-carbaidehyde-N(4)-p-methoxy-phenyl thiosemicarbazone [HL1], pyridine-2-carbaldehyde-N(4)-2-phenylethyl thiosernicarbazone [HL2] and pyridine-2-carbaldehyde-N(4)-(methyl),N(4)-(phenyl) thiosemicarbazone [HL3]} were synthesized and physico-chemically characterized. All complexes are assigned octahedral geometries on the basis of spectral studies. The ligands deprotonate and coordinate by means of pyridine nitrogen, azomethine nitrogen, and thiolate sulfur atoms. The single crystal X-ray structures of HL3 and two nitrate compounds are discussed. The structural studies corroborate the spectral characterization. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.08.029