p-fluorobenzaldehyde N(4)-allylthiosemicarbazone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: p-fluorobenzaldehyde N(4)-allylthiosemicarbazone
• 英文别名: 1-[(4-Fluorophenyl)methylideneamino]-3-prop-2-enylthiourea
• 化学式: C₁₁H₁₂FN₃S
• 分子量: 237.301
• InChiKey: GPFOBHFKYYWAMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  68.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  nickel(II) acetate tetrahydrate 、 p-fluorobenzaldehyde N(4)-allylthiosemicarbazone 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and characterization of square planar nickel(II) complexes with p-fluorobenzaldehyde thiosemicarbazone derivatives

  摘要：

  New thiosemicarbazone nickel complexes (1-7), derived from p-fluorobenzaldehyde and differently substituted thiosemicarbazides, were synthetized and characterized by means of NMR and IR techniques. The p-fluorobenzaldehyde 4-ethylthiosemicarbazone Et-Hfbt (1) and its complex [Ni(Et-fbt)(2)] (2) were also characterized by X-ray diffractometry. Molecule 1 consists of two units: the p-fluorobenzaldehyde residue and the thiosemicarbazonic chain. In the reaction of 1 with NiAc2. 4H(2)O, complex 2 was afforded. The molecular structure of 2 consists of the neutral complexes [Ni(Et-fbt)(2)] with the metal not lying on a symmetry centre, with two consequently independent ligand molecules; the coordination results in a square planar geometry slightly twisted towards a tetrahedron, involving the sulfur and the hydrazine nitrogen atoms of the two ligands in a trans configuration. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00339-x

文献信息

• Ozkirimli, Pharmazie, 1993, vol. 48, # 10, p. 780 - 780
  作者：Ozkirimli

  DOI：——

  日期：——
• Synthesis and characterization of square planar nickel(II) complexes with p-fluorobenzaldehyde thiosemicarbazone derivatives
  作者：Marisa Belicchi Ferrari、Silvia Capacchi、Franco Bisceglie、Giorgio Pelosi、Pieralberto Tarasconi

  DOI：10.1016/s0020-1693(00)00339-x

  日期：2001.1

  New thiosemicarbazone nickel complexes (1-7), derived from p-fluorobenzaldehyde and differently substituted thiosemicarbazides, were synthetized and characterized by means of NMR and IR techniques. The p-fluorobenzaldehyde 4-ethylthiosemicarbazone Et-Hfbt (1) and its complex [Ni(Et-fbt)(2)] (2) were also characterized by X-ray diffractometry. Molecule 1 consists of two units: the p-fluorobenzaldehyde residue and the thiosemicarbazonic chain. In the reaction of 1 with NiAc2. 4H(2)O, complex 2 was afforded. The molecular structure of 2 consists of the neutral complexes [Ni(Et-fbt)(2)] with the metal not lying on a symmetry centre, with two consequently independent ligand molecules; the coordination results in a square planar geometry slightly twisted towards a tetrahedron, involving the sulfur and the hydrazine nitrogen atoms of the two ligands in a trans configuration. (C) 2001 Elsevier Science B.V. All rights reserved.