([Cd(2-benzothiazolylthioacetato)(4,4'-bipyridine)(NO3)(H2O)])(n) | 1076224-60-6

• 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: ([Cd(2-benzothiazolylthioacetato)(4,4'-bipyridine)(NO3)(H2O)])(n)
• CAS: 1076224-60-6
• 化学式: C₉H₆NO₂S₂*C₁₀H₈N₂*Cd*H₂O*NO₃
• 分子量: 572.901
• InChiKey: RFZALMZTXJHENH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.22
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  176.5
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  4,4'-联吡啶 、 cadmium(II) nitrate tetrhydrate 、 (1,3-苯并噻唑-2-硫基)乙酸 以 甲醇 为溶剂， 以37%的产率得到([Cd(2-benzothiazolylthioacetato)(4,4'-bipyridine)(NO3)(H2O)])(n)
  参考文献：
  名称：

  2-Benzothiazolylthioacetic acid and 4,4′-bipyridine as ligands in designing low-dimensional coordination polymers: Synthesis, architectures and magnetic properties

  摘要：

  The combined use of 4,4'-bipyridine (4,4'-bipy) and 2-benzothiazolylthioacetic acid (HBTTAA) as ligands with Mn(II), Cd(II), Co(II) and Cu(II) ions afforded six polymeric complexes, namely {[Mn-3(BTTAA)(4)(4,4'-bipy)(4)](ClO4)(2)center dot 2H(2)O}(n) (1), [Mn(BTTAA)(2)(4,4'-bipy)(2)]n (2), [Cd(BTTAA)(2)(4,4'-bipy)(2)](n) (3), [Cd(BTTAA)(4,4'-bipy)(NO3)(H2O)](n) (4), [Co(BTTAA)(2)(4,4'-bipy)(H2O)(2)](n) (5) and [Cu(BTTAA)(2)(4,4'-bipy)](n) (6). All these complexes have been characterized by a combination of analytical, spectroscopic and crystallographic methods. Complex 1 is a novel 2D network formed by two different 4(4) grid networks, whereas isomorphous complexes 2 and 3 exhibit a 2DI coordination architecture formed by the same 4(4) grid network. In 4-6, extended 1 D chains are formed, with the 4,4'-bipy molecules acting as rigid rod-like links between adjacent metal centers. The carboxylato groups of BTTAA in these complexes exhibit four different coordination modes, namely monodentate, chelating, bridging and bridging-chelating modes. The magnetic properties of 1, 2, 5 and 6 were investigated in the temperature range 2.0-300.0 K. Variable temperature magnetic susceptibility measurements show weak anti ferromagnetic interactions in these complexes. Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.07.006