[Ni(salicylaldehyde-N-phenylthiosemicarbazido)(triphenylphosphine)]

• 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: [Ni(salicylaldehyde-N-phenylthiosemicarbazido)(triphenylphosphine)]
• 英文别名: Ni(PPh3)(salicylaldehyde-N(4)-phenylthiosemicarbazone)；nickel(2+);N-[(E)-(2-oxidophenyl)methylideneamino]-N'-phenylcarbamimidothioate;triphenylphosphane
• 化学式: C₃₂H₂₆N₃NiOPS
• 分子量: 590.308
• InChiKey: HMOBKSQPAPUFKP-OYEVQUPYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.36
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  bis(triphenylphosphine)nickel(II) chloride 、 2-hydroxybenzaldehyde 4-phenylthiosemicarbazone 以 乙醇 、 二氯甲烷 为溶剂， 以90%的产率得到[Ni(salicylaldehyde-N-phenylthiosemicarbazido)(triphenylphosphine)]
  参考文献：
  名称：

  Formation of structurally different solvated and non-solvated [Ni(PTSC)(PPh3)] (PTSC=salicylaldehyde-N-phenylthiosemicarbazide anion) crystals from single pot

  摘要：

  New thiosemicarbazone nickel(II) complex, derived from salicylaldehyde-N-phenylthiosemicarbazone, was synthesized and characterized by means of IR, electronic, and mass spectral techniques. Its two different types of crystal structures were also characterized by single crystal X-ray diffraction technique and reported here. In type A, the complex crystallizes in the monoclinic space group P2(1)/c with four molecules per cell and has the dimensions of a = 9.2066(7), b = 19.1090(13), c = 18.589(2) angstrom, beta = 92.87 (1)degrees. In type B, the complex crystallizes in the triclinic space group P (1) over bar with two molecules per cell and has the dimensions of a = 10.406(4), b = 10.876(4), c = 14.614(5) angstrom, alpha = 64.81(1), beta = 74,07(2), gamma = 70.85(2)degrees. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.12.051

文献信息

• One pot synthesis of structurally different mono and dimeric Ni(ii) thiosemicarbazone complexes and N-arylation on a coordinated ligand: a comparative biological study
  作者：R. Prabhakaran、P. Kalaivani、P. Poornima、F. Dallemer、G. Paramaguru、V. Vijaya Padma、R. Renganathan、R. Huang、K. Natarajan

  DOI：10.1039/c2dt12231f

  日期：——

  One pot synthesis of three structurally different Ni(II) thiosemicarbazone complexes 1, 2 and 3 were obtained from the reaction between [NiCl2(PPh3)2], 1,2-bis(diphenylphosphino)ethane, and [H2-(Sal-tsc)]. The obtained products were characterized by various spectral and analytical techniques. From the X-ray crystallographic analysis, an unexpected N-arylation on the coordinated salicylaldehydethiosemicarbazone was found in complex 2. The comparative biological evolutions such as DNA/protein binding, antioxidant, cytotoxicity (MTT, LDH, and NO) and cellular uptake studies have been examined for [Ni(Sal-tsc)(PPh3)] (1) and [(Ni(Sal-tsc))2(μ-dppe)] (3). When comparing the cytotoxicity of the complexes, 1 exhibited higher activity than 2 and 3 and by comparing with standard cis-platin, both of them were found to exhibit better activity under identical conditions.

  通过[NiCl2(PPh3)2]、1,2-双(二苯基膦)乙烷和[H2-(Sal-tsc)的反应，一锅法合成了三种结构不同的Ni(II)缩氨基硫脲配合物1、2和3。 )]。通过各种光谱和分析技术对所得产物进行了表征。通过 X 射线晶体分析，在配合物 2 中发现了配位的水杨醛缩氨基硫脲上意外的 N-芳基化。DNA/蛋白质结合、抗氧化剂、细胞毒性（MTT、LDH 和 NO）和细胞摄取等比较生物进化研究表明，已检查 [Ni(Sal-tsc)(PPh3)] (1) 和 [(Ni(Sal-tsc))2(μ-dppe)] (3)。当比较复合物的细胞毒性时，1比2和3表现出更高的活性，并且通过与标准顺铂比较，发现它们在相同条件下都表现出更好的活性。
• Formation of structurally different solvated and non-solvated [Ni(PTSC)(PPh3)] (PTSC=salicylaldehyde-N-phenylthiosemicarbazide anion) crystals from single pot
  作者：R. Prabhakaran、R. Karvembu、T. Hashimoto、K. Shimizu、K. Natarajan

  DOI：10.1016/j.ica.2004.12.051

  日期：2005.3

  New thiosemicarbazone nickel(II) complex, derived from salicylaldehyde-N-phenylthiosemicarbazone, was synthesized and characterized by means of IR, electronic, and mass spectral techniques. Its two different types of crystal structures were also characterized by single crystal X-ray diffraction technique and reported here. In type A, the complex crystallizes in the monoclinic space group P2(1)/c with four molecules per cell and has the dimensions of a = 9.2066(7), b = 19.1090(13), c = 18.589(2) angstrom, beta = 92.87 (1)degrees. In type B, the complex crystallizes in the triclinic space group P (1) over bar with two molecules per cell and has the dimensions of a = 10.406(4), b = 10.876(4), c = 14.614(5) angstrom, alpha = 64.81(1), beta = 74,07(2), gamma = 70.85(2)degrees. (c) 2005 Elsevier B.V. All rights reserved.