N'-[(2-methoxyphenyl)carbonothioyl]pyridine-2-carbohydrazide | 915022-04-7

• 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: N'-[(2-methoxyphenyl)carbonothioyl]pyridine-2-carbohydrazide
• 英文别名: N'-(2-methoxythiobenzoyl)pyridine-2-carbohydrazide；N'-(2-methoxybenzenecarbothioyl)pyridine-2-carbohydrazide
• CAS: 915022-04-7
• 化学式: C₁₄H₁₃N₃O₂S
• 分子量: 287.342
• InChiKey: BPFIDPSVJIUEBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 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：
  95.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  manganese(II) chloride tetrahydrate 、 N'-[(2-methoxyphenyl)carbonothioyl]pyridine-2-carbohydrazide 以 甲醇 、 乙醚 为溶剂， 以70%的产率得到Mn(N'-[(2-methoxyphenyl)carbonothioyl]pyridine-2-carbohydrazide(1-))2*2H2O
  参考文献：
  名称：

  Ni(II) and Mn(II) complexes of NNS tridentate ligand N′-[(2-methoxyphenyl)carbonothioyl]pyridine-2-carbohydrazide (H2mcph): Synthesis, spectral and structural characterization

  摘要：

  The ligand N'-[(2-methoxyphenyl)carbonothioyl]pyridine-2-carbohydrazide (H(2)mcph), having NNS donor sequence, has been found to form [Ni(Hmcph)(2)]center dot CH(2)Cl(2 center dot)0.5C(6)H(6) and [Mn(Hmcph)(2)]center dot 2H(2)O which have been characterized by spectroscopic and spectrometric techniques including magnetic susceptibility measurements and single crystal X-ray of both complexes. The compounds crystallize in the triclinic and monoclinic systems with the space group Pi and P2(1)/c, respectively with a distorted octahedral geometry about the M(II) center. The ligand is coordinated through the ring nitrogen, hydrazinic N and thione sulfur. The hydrazinic nitrogen coordinates with a shorter M-N distance than the ring nitrogen and the bond lengths in the chelate ring systems are intermediate between single and double bond distances, suggesting considerable delocalization of charge. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.03.005

文献信息

• Ni(II) and Mn(II) complexes of NNS tridentate ligand N′-[(2-methoxyphenyl)carbonothioyl]pyridine-2-carbohydrazide (H2mcph): Synthesis, spectral and structural characterization
  作者：N.K. Singh、P. Tripathi、M.K. Bharty、A.K. Srivastava、Sanjay Singh、R.J. Butcher

  DOI：10.1016/j.poly.2010.03.005

  日期：2010.5

  The ligand N'-[(2-methoxyphenyl)carbonothioyl]pyridine-2-carbohydrazide (H(2)mcph), having NNS donor sequence, has been found to form [Ni(Hmcph)(2)]center dot CH(2)Cl(2 center dot)0.5C(6)H(6) and [Mn(Hmcph)(2)]center dot 2H(2)O which have been characterized by spectroscopic and spectrometric techniques including magnetic susceptibility measurements and single crystal X-ray of both complexes. The compounds crystallize in the triclinic and monoclinic systems with the space group Pi and P2(1)/c, respectively with a distorted octahedral geometry about the M(II) center. The ligand is coordinated through the ring nitrogen, hydrazinic N and thione sulfur. The hydrazinic nitrogen coordinates with a shorter M-N distance than the ring nitrogen and the bond lengths in the chelate ring systems are intermediate between single and double bond distances, suggesting considerable delocalization of charge. (c) 2010 Elsevier Ltd. All rights reserved.