[Cu(N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide)(NO3)(μ1,3-NCS)]n*H2O | 1394897-14-3

• 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: [Cu(N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide)(NO3)(μ1,3-NCS)]n*H2O
• CAS: 1394897-14-3
• 化学式: CNS*C₉H₁₁N₃O*Cu*H₂O*NO₃
• 分子量: 378.856
• InChiKey: VYAVTIOBLFPOLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.53
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  174.35
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  sodium thiocyanide 、 2-acetyl pyridine acetoylhydrazone 、 copper(II) nitrate trihydrate 以 甲醇 为溶剂， 以62%的产率得到[Cu(N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide)(NO3)(μ1,3-NCS)]n*H2O
  参考文献：
  名称：

  End-to-end thiocyanato-bridged zig-zag polymers of CuII, CoII and NiII with a hydrazone ligand: EPR, magnetic susceptibility and biological study

  摘要：

  The reactions of a tridentate hydrazone ligand, N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide (LH), derived from condensation of 2-acetylpyridine with acetic hydrazide, with M(NO3)(2)center dot nH(2)O [M = Cu, Co and Nil in the presence of thiocyanate afford three end-to-end zig-zag coordination polymers, [CuLH (NO3)(mu(1.3)-NCS)](n)center dot nH(2)O (1), [CoLH(NCS)(mu(1.3)-NCS)](n) (2) and [NiLH(NCS)(mu(1.3)-NCS)](n) (3) (where LH = CH3C(=O)-N-N=CCH3C5H4N). Single-crystal X-ray structural determination studies reveal that in all the complexes, the hydrazone ligand in the neutral keto form (LH) coordinates a M-II ion that is bridged to two neighboring metal centers by SCN- anions, generating a 1-D helical coordination chain. In 1, the Cu-II atom adopts a distorted tetragonal bipyramid geometry whereas in 2 and 3, the central Co-II or Ni-II atom possesses into a distorted octahedral environment. All the aforementioned compounds have been fully characterized by elemental analysis, IR, UV-Vis and EPR spectra. Variable temperature magnetic susceptibility measurement of 1 accounts the weak antiferromagnetic interactions whereas 2 shows single-ion anisotropy. Compound 3 is well described as a 3-D ferromagnetic. The inhibitory effects of all the complexes on the cell population growth of human lung carcinoma cells (A549 cells), human colorectal carcinoma cells (COLD 205 cells and HT-29 cells), and human hepatocellular carcinoma cells (PLC5 cells) were determined by MTT assays. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.06.027