pyridine-2-carbaldehyde-N(4)-2-phenethyl thiosemicarbazone | 575495-08-8

• 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)-2-phenethyl thiosemicarbazone
• 英文别名: pyridine-2-carbaldehyde N(4)-phenethylthiosemicarbazone；pyridine-2-carbaldehyde-N(4)-2-phenylethyl thiosemicarbazone；1-(2-Phenylethyl)-3-(pyridin-2-ylmethylideneamino)thiourea
• CAS: 575495-08-8
• 化学式: C₁₅H₁₆N₄S
• 分子量: 284.385
• InChiKey: BEOVDXWRLKDDOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  nickel(II) nitrate hexahydrate 、 pyridine-2-carbaldehyde-N(4)-2-phenethyl thiosemicarbazone 以 乙醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  吡啶-2-甲醛衍生的N（4）取代的硫代半氨基甲酮的镍（II）配合物：晶体结构，光谱方面和Hirshfeld表面分析

  摘要：

  七的Ni（II）络合物{[NIL 1 2 ] • 2H 2 O（1），[倪2大号2 2 SO 4 ] • 1½H 2 O（2）， [镍（HL 2）2 ]（NO 3）2 • H 2 O • EtOH（3），[NiL 2（HL 2）] OAc • 3H 2 O（4），[Ni（HL 2）2 ]（ClO 4）2• 2H 2 O（5），[NIL 3 OAC] • 2½H 2 O（6），[NIL 3 NO 3 ] • 3H 2 O（7的）} 3个缩氨基硫脲配位体，即•吡啶-2-甲醛-N（ 4）-对甲氧基苯基硫代半脲（HL 1），吡啶-2-甲醛N（4）-苯乙基硫代半脲（HL 2）和吡啶-2-甲醛-N（4）-吡啶基硫代半脲[HL 3通过部分元素分析，摩尔电导率测量，电子，红外光谱研究和磁化率测量，合成了[]和理化性质。在配合物中，硫代半氨基甲酮以硫酮形式和去质子化的硫醇盐形式配位。吡啶氮，偶氮甲碱氮和硫醇

  DOI：

  10.1016/j.molstruc.2021.130362

文献信息

• Syntheses and EPR spectral studies of manganese(II) complexes derived from pyridine-2-carbaldehyde based N(4)-substituted thiosemicarbazones: Crystal structure of one complex
  作者：P.F. Rapheal、E. Manoj、M.R. Prathapachandra Kurup

  DOI：10.1016/j.poly.2007.07.028

  日期：2007.10

  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.
• 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.
• Structural and spectral studies of novel Co(III) complexes of N(4)-substituted thiosemicarbazones derived from pyridine-2-carbaldehyde
  作者：P.F. Rapheal、E. Manoj、M.R. Prathapachandra Kurup、E. Suresh

  DOI：10.1016/j.poly.2006.08.029

  日期：2007.2

  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.