Cobalt, aqua[[4,4'-[[6-(diethylamino)-1,3,5-triazine-2,4-diyl-κN3]diimino]bis[benzoato]](2-)]- | 1044511-80-9

• 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: Cobalt, aqua[[4,4'-[[6-(diethylamino)-1,3,5-triazine-2,4-diyl-κN3]diimino]bis[benzoato]](2-)]-
• 英文别名: ne；[cobalt(II) (2,4-bis(4-carboxyphenylamino)-6-diethylamino-1,3,5-triazinate) (water)]n
• CAS: 1044511-80-9
• 化学式: C₂₁H₂₀N₆O₄*Co*H₂O
• 分子量: 497.436
• InChiKey: ZUNMBVNJYDGZTE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  33.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  177.73
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  cobalt(II) nitrate hexahydrate 、 2,4-bis(4-carboxyphenylamino)-6-diethylamino-1,3,5-triazine dihydrate 、 水 在 triethylamine 作用下， 以 水 为溶剂， 以80%的产率得到Cobalt, aqua[[4,4'-[[6-(diethylamino)-1,3,5-triazine-2,4-diyl-κN3]diimino]bis[benzoato]](2-)]-
  参考文献：
  名称：

  A polymeric cobalt compound [Co(DCNT)(H2O)]n with novel topology: Synthesis, structure, luminescence, and magnetic property

  摘要：

  The hydrothermal reaction of Co(NO3)(2)center dot 6H(2)O and a new designed ligand H2DCNT yields a three-dimensional polymer [Co(DCNT) (H2O)(n) (1), H2DCNT=2,4-bis(4-carboxyphenylamino)-6-diethylamino-1,3,5-triazine. In the structure of 1, each DCNT2- has three coordination sites, one nitrogen atom in the triazine ring coordinating to Co(II) and two carboxylates adopting mu(2)-bridging mode, which make the infinite Co(II) chains array uniformly and evenly toward crystallographic c-axis. Luminescent and magnetic properties of 1 were also studied. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2007.04.023