[Co(1,3-benzenedicarboxylate)(trans-1,2-bis(4-pyridyl)ethylene)] | 639790-07-1

• 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(1,3-benzenedicarboxylate)(trans-1,2-bis(4-pyridyl)ethylene)]
• CAS: 639790-07-1
• 化学式: C₈H₄O₄*C₁₂H₁₀N₂*Co
• 分子量: 405.335
• InChiKey: DQTOVSOGKTVKCV-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

• 作为产物：
  描述：

  cobalt(II) nitrate hexahydrate 、 间苯二甲酸 、 1,2-二(4-吡啶基)乙烯 以 水 为溶剂， 以67%的产率得到[Co(1,3-benzenedicarboxylate)(trans-1,2-bis(4-pyridyl)ethylene)]
  参考文献：
  名称：

  Triply interpenetrating coordination polymers based on paddle-wheel type secondary-building units of M2(CO2R)4: [Ni3(2,6-NDC)3(bipy)1.5], [Co3(2,6-NDC)3(bipy)1.5], and [Co(1,3-BDC)(bipyen)] (2,6-NDC=2,6-naphthalenedicarboxylate; 1,3-BDC=1,3-benzenedicarboxylate; bipy=4,4′-bipyridine; bipyen=trans-1,2-bis(4-pyridyl)ethylene)

  摘要：

  Triply interpenetrating 3-dimensional nickel and cobalt coordination polymers, [M-3(2,6-NDC)(3)(bipy)(1.5)], were prepared from metal nitrate {M(NO3)(2).6H(2)O), 2,6-naphthalenedicarboxylic acid (2,6-NDCH2), and 4,4'-bipyridine (bipy) under hydrothermal (M = Ni) or water-benzene hydro(solvo)thermal (M = Co) conditions. Both polymers have the same secondary building units (SBUs) of paddle-wheels of the type [M-2(CO2R)(4)], which are composed of two metals and four di(monodentate) bridging carboxylates. On the other hand, the hydrothermal reaction of Co(NO3)(2).6H(2)O with 1,3-benzenedicarboxylic acid (1,3-BDCH2) and trans-1,2-bis(4-pyridyl)ethylene (bipyen) gave a 2-dimensional polymer [Co(1,3-BDC)(bipyen)]. The structures of all products were determined by X-ray diffraction. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00246-9