[Cd(3,3′-azodibenzoate)(N,N-dimethylformamide)(methanol)] | 1429900-40-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: [Cd(3,3′-azodibenzoate)(N,N-dimethylformamide)(methanol)]
• CAS: 1429900-40-2
• 化学式: CH₄O*C₃H₇NO*C₁₄H₈N₂O₄*Cd
• 分子量: 485.775
• InChiKey: XWPCFRUHWVUARM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.14
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  145.52
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  偶氮苯-3,3-二羧酸 、 cadmium(II) acetate dihydrate 在 甲醇 、 N,N-二甲基甲酰胺 作用下， 反应 96.0h， 以35%的产率得到[Cd(3,3′-azodibenzoate)(N,N-dimethylformamide)(methanol)]
  参考文献：
  名称：

  Solvent- and temperature-driven synthesis of three Cd(II) coordination polymers based on 3,3′-azodibenzoic acid ligand: Crystal structures and luminescent properties

  摘要：

  Solvothermal reactions of Cd(OAc)(2)center dot 2H(2)O with 3,3'-azodibenzoic acid (H2L) in N,N'-dimethylformamide (DMF) or DMF/MeOH at 100 degrees C or 120 degrees C gave rise to three cadmium(II) coordination polymers {[CdL(DMF)(2)]center dot 0.5DMF}(n) (1), [CdL(DMF)(MeOH)](n) (2) and {[Cd3L3(DMF)(4)]center dot 0.5DMF}(n) (3). Complexes 1-3 were characterized by elemental analysis, IR, powder X-ray diffraction and single-crystal X-ray diffraction. In 1-3, dinuclear [Cd2L4(DMF)(4)] (1) or [Cd2L4(DMF)(2)(MeOH)(2)] (2) unit and trinuclear [Cd3L6(DMF)(4)] (3) unit acts as a four-connecting node to link its equivalent ones via sharing L ligands to form 2D layers, which are further connected through the C-H center dot center dot center dot pi (1) or hydrogen-bonding interactions (2-3) to afford 3D networks with the 4(12)6(3) topology. The network of 1 allows other one to be penetrated for the formation of twofold interpenetrating pcu net. The formation of 1-3 provided an interesting insight into solvent and temperature effects on the construction of coordination polymers under solvothermal conditions. In addition, the photoluminescent properties of 1-3 in solid state at ambient temperature were also investigated. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.11.021