[Cd(dipyrido[3,2-d:2′3′-f]quinoxaline)(2,5-(s-acetic acid) dimercapto-1,3,4-thiadiazole-2H)] | 1431456-18-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [Cd(dipyrido[3,2-d:2′3′-f]quinoxaline)(2,5-(s-acetic acid) dimercapto-1,3,4-thiadiazole-2H)]
• 英文别名: [Cd(dpq)(2,5-(s-acetic acid) dimercapto-1,3,4-thiadiazole-2H)]
• CAS: 1431456-18-6
• 化学式: C₆H₄N₂O₄S₃*C₁₄H₈N₄*Cd
• 分子量: 608.961
• InChiKey: IEJGTDSCKNZZPL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.95
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  157.6
• 氢给体数：
  0.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  [Cd(dipyrido[3,2-d:2′3′-f]quinoxaline)(2,5-(s-acetic acid) dimercapto-1,3,4-thiadiazole-2H)] 以 neat (no solvent, solid phase) 为溶剂， 生成 cadmium(II) oxide
  参考文献：
  名称：

  Effect of organic polycarboxylates on the architectures of cadmium(II) coordination polymers based on dipyrazino[2,3-f:2′3′-h]quino-xaline: Syntheses, crystal structures, and photoluminescence properties

  摘要：

  Three new Cd-II coordination polymers tuned by the polycarboxylates, namely, [Cd(dpq)(L-1)(H2O)] (1), [Cd(dpq)(L-2)] (2) and [Cd-2(mu(3)-OH)(dpq)(2)(L-3)]center dot H2O (3) (dpq = dipyrido[3,2-d:2'3'-f]quinoxaline, H2L1 = 2-carboxymethylsulfanyl nicotinic acid, H2L2 = 2,5-(s-acetic acid) dimercapto-1,3,4-thiadiazole and H3L3 = 5-sulfoisophthalic acid), have been synthesized under hydrothermal conditions and structurally characterized by elemental analysis, IR, and single crystal X-ray diffraction analysis. X-ray analysis reveals that the Cd-II ions of complex 1 are bridged by L-1 anions to form a one-dimensional (1D) linear chain. In complex 2, bimetallic Cd-II subunits were bridged by L-2 anions to generate a 2D (4,4) network, which is stabilized by intra-molecular pi-pi stacking interactions. In complex 3, the Cd-II ions are connected by mu(3)-OH and carboxyl groups from L-3 anion to form tetra-nuclear Cd-II clusters, which are further linked by L-3 anions to generate a 2D (3,6)-connected binodal network with a (4(3))(2)(4(6).6(6).8(3)) topology. The different structures of complexes 1-3 illustrate the great influence of the polycarboxylate ligands on the self-assembly of polymeric coordination architectures. In addition, the thermal and fluorescent properties of complexes 1-3 have been investigated. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.01.007
• 作为产物：
  描述：

  aqueous cadmium chloride 、 2,2'-[1,3,4-噻二唑-2,5-二基二(硫代)]二-乙酸 、 吡嗪并[2，3-f]的[1，10]菲咯啉 在 sodium hydroxide 作用下， 反应 72.0h， 以45%的产率得到[Cd(dipyrido[3,2-d:2′3′-f]quinoxaline)(2,5-(s-acetic acid) dimercapto-1,3,4-thiadiazole-2H)]
  参考文献：
  名称：

  Effect of organic polycarboxylates on the architectures of cadmium(II) coordination polymers based on dipyrazino[2,3-f:2′3′-h]quino-xaline: Syntheses, crystal structures, and photoluminescence properties

  摘要：

  Three new Cd-II coordination polymers tuned by the polycarboxylates, namely, [Cd(dpq)(L-1)(H2O)] (1), [Cd(dpq)(L-2)] (2) and [Cd-2(mu(3)-OH)(dpq)(2)(L-3)]center dot H2O (3) (dpq = dipyrido[3,2-d:2'3'-f]quinoxaline, H2L1 = 2-carboxymethylsulfanyl nicotinic acid, H2L2 = 2,5-(s-acetic acid) dimercapto-1,3,4-thiadiazole and H3L3 = 5-sulfoisophthalic acid), have been synthesized under hydrothermal conditions and structurally characterized by elemental analysis, IR, and single crystal X-ray diffraction analysis. X-ray analysis reveals that the Cd-II ions of complex 1 are bridged by L-1 anions to form a one-dimensional (1D) linear chain. In complex 2, bimetallic Cd-II subunits were bridged by L-2 anions to generate a 2D (4,4) network, which is stabilized by intra-molecular pi-pi stacking interactions. In complex 3, the Cd-II ions are connected by mu(3)-OH and carboxyl groups from L-3 anion to form tetra-nuclear Cd-II clusters, which are further linked by L-3 anions to generate a 2D (3,6)-connected binodal network with a (4(3))(2)(4(6).6(6).8(3)) topology. The different structures of complexes 1-3 illustrate the great influence of the polycarboxylate ligands on the self-assembly of polymeric coordination architectures. In addition, the thermal and fluorescent properties of complexes 1-3 have been investigated. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.01.007