| 1609005-12-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1609005-12-0
• 化学式: C₈H₅NO₄*C₁₉H₁₆N₄O₂*Co*Ni
• 分子量: 629.177
• InChiKey: NIXKGPYBPHYFCF-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  1.68
• 重原子数：
  40.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  193.34
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  cobalt(II) diacetate tetrahydrate 、 5-氨基间苯二甲酸 、 Ni(2,3-dioxo-5,6,14,15-dibenzo-1,4,8,12-tetraazacyclo-pentadeca-7,13-dien(-2H)) 在 三乙胺 作用下， 以 甲醇 、 水 为溶剂， 反应 96.5h， 以37.5%的产率得到
  参考文献：
  名称：

  Six heterometallic coordination polymers containing cobalt(II): Syntheses, crystal structures and magnetic properties

  摘要：

  Six new coordination polymers, [Co(NiL)(aipt)] (1), [CO2(ML)(hipt)(2)(CH3OH)(H2O)]center dot CH3OH (M=Cu (2), Ni (3)), [CO2(C2O4)(2)(CuL)(2)] (4), [Co-4(NiL)(4)(ipt)(4)(H2O)(2]) (5) and [Co(CuL)(tpt)1 (6) (H2L=2,3-dioxo-5,6,14,15-dibenzo-1,4,8,12-tetraazacyclo-pentadeca-7,13-dien; H(2)aipt=5-aminoisophthalic acid; H(2)hipt=5-hydroxyisophthalic acid; H(2)ipt=isophthalic acid; H(2)tpt=terephthalic acid), have been synthesized by a solvothermal method and characterized by single-crystal X-ray diffraction. Complexes 1, 4 and 5 exhibit different infinite chain structures formed by CoNi (1), Co2Cu2 (4), Co4Ni4 (5) units, respectively, via oxamide and diverse carboxylate bridges, while complexes 2, 3 and 6 exhibit different two-dimensional network structures formed by CO2M or CO2M2 units via oxamide and 5-hydroxyisophthalate or terephthalate bridges. The results of magnetic determination show weak antiferromagnetic interactions in 1-3 and 5-6, and the spin-orbit coupling interaction of Co(II) is a primary factor in the magnetic behaviors. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.02.035