[Co(trans-1,2-bis(4-pyridyl))(terephthalate)] | 1005477-04-2

• 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: [Co(trans-1,2-bis(4-pyridyl))(terephthalate)]
• 英文别名: [Co(bpee)(tp)]
• CAS: 1005477-04-2
• 化学式: C₈H₄O₄*C₁₂H₁₀N₂*Co
• 分子量: 405.335
• InChiKey: GUSURVOSTMBFJE-SEPHDYHBSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.06
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  106.04
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [Co(trans-1,2-bis(4-pyridyl))(terephthalate)] 、 水 以 neat (no solvent) 为溶剂， 生成 [Co(trans-1,2-bis(4-pyridyl))(terephthalate)(H2O)4]*2H2O
  参考文献：
  名称：

  A 3D supramolecular network of cobalt(II)(bis(4-pyridyl)ethylene) with terephthalate dianions

  摘要：

  A three dimensional supramolecular network, {[Co(bpee)(H2O)(4)] center dot (tp) center dot 2(H2O)}(n) (1) [bpee = trans- 1,2-bis(4-pyridyl)ethylene; tp = terephthalate dianion] has been synthesized and characterized by X-ray single crystal structure, magnetic measurement and thermal analysis. The structure determination reveals that the cobalt(II) ions, bridged by bpee and coordinated by four water molecules, give rise to covalently linked ID polymeric chain. The parallel chains get involved in H-bonding with tp resulting in a 3D architecture. Upon heating 1, which is pink in color, transforms to [Co(bpee)(tp)] (1a, blue). The deaquated species (1a) reverts on keeping in humid atmosphere. Low temperature magnetic data indicate weak antiferromagnetic coupling. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.07.037
• 作为产物：
  描述：

  [Co(trans-1,2-bis(4-pyridyl))(terephthalate)(H2O)4]*2H2O 以 neat (no solvent, solid phase) 为溶剂， 生成 [Co(trans-1,2-bis(4-pyridyl))(terephthalate)]
  参考文献：
  名称：

  A 3D supramolecular network of cobalt(II)(bis(4-pyridyl)ethylene) with terephthalate dianions

  摘要：

  A three dimensional supramolecular network, {[Co(bpee)(H2O)(4)] center dot (tp) center dot 2(H2O)}(n) (1) [bpee = trans- 1,2-bis(4-pyridyl)ethylene; tp = terephthalate dianion] has been synthesized and characterized by X-ray single crystal structure, magnetic measurement and thermal analysis. The structure determination reveals that the cobalt(II) ions, bridged by bpee and coordinated by four water molecules, give rise to covalently linked ID polymeric chain. The parallel chains get involved in H-bonding with tp resulting in a 3D architecture. Upon heating 1, which is pink in color, transforms to [Co(bpee)(tp)] (1a, blue). The deaquated species (1a) reverts on keeping in humid atmosphere. Low temperature magnetic data indicate weak antiferromagnetic coupling. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.07.037