[Cd(2-methyl-1H-imidazole-4,5-dicarboxylate)(1,10-phenanthroline)]*H2O | 1364409-32-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [Cd(2-methyl-1H-imidazole-4,5-dicarboxylate)(1,10-phenanthroline)]*H2O
• 英文别名: [Cd(HMIDC)(phen)]*H2O
• CAS: 1364409-32-4
• 化学式: C₆H₄N₂O₄*C₁₂H₈N₂*Cd*H₂O
• 分子量: 478.743
• InChiKey: AFNDPKMNKOHUHN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  28.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  166.22
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  [Cd(2-methyl-1H-imidazole-4,5-dicarboxylate)(1,10-phenanthroline)]*H2O 以 neat (no solvent, solid phase) 为溶剂， 生成 cadmium(II) oxide
  参考文献：
  名称：

  Four cadmium(II) polymeric frameworks constructed by 2-methyl or 2-ethyl imidazole dicarboxylates

  摘要：

  Four polymeric frameworks, {[Cd(HMIDC)(phen)]center dot H2O}(n) (1), {[Cd-4(HMIDC)(4)]center dot 8H(2)O}(n) (2), Cd(HMIDC)(2,2'-bipy)](n) (3), and {[Cd(HEIDC)(2,2'-bipy)](2)}(n) (4) (H3MIDC = 2-methyl-1H-imidazole-4,5-dicarboxylic acid, H3EIDC = 2-ethyl-1H-imidazole-4,5-dicarboxylic acid, phen = 1,10-phenanthroline, 2,2'-bipy = 2,2'-bipyridine) have been hydro(solvo)thermally synthesized and structurally characterized by single-crystal X-ray diffraction. Compounds 1, 3 and 4 are one-dimensional (1D) infinite chains, in which the HMIDC2 or HEIDC2 units as mu(2)-mode link the Cd(II) atoms with phen or 2,2'-bipy chelating the central ions. Compound 2 shows a three-dimensional (3D) structure constructed from 2D layer motifs joined by mu(2)-HMIDC2 or mu(3)-MIDC3 ligands. The thermal and solid-state photoluminescence properties of complexes 1-4 have been determined as well. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.12.027
• 作为产物：
  描述：

  1,10-菲罗啉 、 2-甲基-1H-咪唑-4,5-二羧酸 、 cadmium(II) nitrate tetrhydrate 、 水 以 乙醇 、 水 为溶剂， 以53%的产率得到[Cd(2-methyl-1H-imidazole-4,5-dicarboxylate)(1,10-phenanthroline)]*H2O
  参考文献：
  名称：

  Four cadmium(II) polymeric frameworks constructed by 2-methyl or 2-ethyl imidazole dicarboxylates

  摘要：

  Four polymeric frameworks, {[Cd(HMIDC)(phen)]center dot H2O}(n) (1), {[Cd-4(HMIDC)(4)]center dot 8H(2)O}(n) (2), Cd(HMIDC)(2,2'-bipy)](n) (3), and {[Cd(HEIDC)(2,2'-bipy)](2)}(n) (4) (H3MIDC = 2-methyl-1H-imidazole-4,5-dicarboxylic acid, H3EIDC = 2-ethyl-1H-imidazole-4,5-dicarboxylic acid, phen = 1,10-phenanthroline, 2,2'-bipy = 2,2'-bipyridine) have been hydro(solvo)thermally synthesized and structurally characterized by single-crystal X-ray diffraction. Compounds 1, 3 and 4 are one-dimensional (1D) infinite chains, in which the HMIDC2 or HEIDC2 units as mu(2)-mode link the Cd(II) atoms with phen or 2,2'-bipy chelating the central ions. Compound 2 shows a three-dimensional (3D) structure constructed from 2D layer motifs joined by mu(2)-HMIDC2 or mu(3)-MIDC3 ligands. The thermal and solid-state photoluminescence properties of complexes 1-4 have been determined as well. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.12.027