[Co(4,5-imidazoledicarboxylic acid)2(H2O)2] | 828300-42-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Co(4,5-imidazoledicarboxylic acid)2(H2O)2]
• 英文别名: [Co(4,5-imidazoledicarboxylic acid)₂(H₂O)₂]；Co(H₂IMDC)₂(H₂O)₂；[Co(4,5-Imdc)₂(H₂O)₂]；[Co(imidazole-4,5-dicarboxylic acid(-H))2(H2O)2]；Co(4,5-imidazoledicarboxylateH(1-))2(H2O)2；[Co(Himdc)2(H2O)2]
• CAS: 828300-42-1
• 化学式: C₁₀H₁₀CoN₄O₁₀
• 分子量: 405.203
• InChiKey: JJEZVOHRALYIAD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  cobalt(II) nitrate hexahydrate 、 咪唑-4,5-二羧酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 48.0h， 生成 [Co(4,5-imidazoledicarboxylic acid)2(H2O)2]
  参考文献：
  名称：

  4, 5-咪唑二羧酸酯连接的 Co(II) 和 Cd(II) 金属有机配位配合物的合成、表征和催化活性

  摘要：

  摘要 构建了两种单核配位配合物[Co(4,5-Imdc)2 (H2O)2] (1)和[Cd(4,5-Imdc)2(H2O)3]·H2O(2)使用 Co(II) 和 Cd(II) 金属盐和 4,5-咪唑二羧酸 (4,5-Imdc) 作为有机配体。1、2均通过单晶XRD结构表征，结果表明1属于P21/n空间群，晶胞参数[a = 5.0514(3) A, b = 22.5786(9) A, c = 6.5377(3 ) A, β = 111.5°] 而, 2 属于具有晶胞参数的 P21/c 空间群 [a = 6.9116(1) A, b = 17.4579(2) A, c = 13.8941(2) A, β = 97.7 °]。虽然 1 中的 Co(II) 显示出具有 4,5-Imdc 和水分子的六配位几何结构，但 2 中的 Cd(II) 离子显示出与相同配体和溶剂的七次配位。在 1 和 2 中，与单核单元的氢键相互作用产生了

  DOI：

  10.1016/j.molstruc.2017.04.083
• 作为试剂：
  描述：

  间羟基苯甲醛 、 丁炔二酸二甲酯 、 丙二腈 在 [Co(4,5-imidazoledicarboxylic acid)2(H2O)2] 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 0.25h， 以92%的产率得到methyl 6-amino-5-cyano-4-(3-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-3-carboxylate
  参考文献：
  名称：

  4, 5-咪唑二羧酸酯连接的 Co(II) 和 Cd(II) 金属有机配位配合物的合成、表征和催化活性

  摘要：

  摘要 构建了两种单核配位配合物[Co(4,5-Imdc)2 (H2O)2] (1)和[Cd(4,5-Imdc)2(H2O)3]·H2O(2)使用 Co(II) 和 Cd(II) 金属盐和 4,5-咪唑二羧酸 (4,5-Imdc) 作为有机配体。1、2均通过单晶XRD结构表征，结果表明1属于P21/n空间群，晶胞参数[a = 5.0514(3) A, b = 22.5786(9) A, c = 6.5377(3 ) A, β = 111.5°] 而, 2 属于具有晶胞参数的 P21/c 空间群 [a = 6.9116(1) A, b = 17.4579(2) A, c = 13.8941(2) A, β = 97.7 °]。虽然 1 中的 Co(II) 显示出具有 4,5-Imdc 和水分子的六配位几何结构，但 2 中的 Cd(II) 离子显示出与相同配体和溶剂的七次配位。在 1 和 2 中，与单核单元的氢键相互作用产生了

  DOI：

  10.1016/j.molstruc.2017.04.083

文献信息

• Synthesis and crystal structures of metal complexes with 4,5-imidazole-dicarboxylate chelates: self-assembled structures via NH⋯O C intermolecular hydrogen bonds
  作者：Emi Shimizu、Mitsuru Kondo、Yumiko Fuwa、Ram. P. Sarker、Makoto Miyazawa、Masaru Ueno、Tetsuyoshi Naito、Kenji Maeda、Fumio Uchida

  DOI：10.1016/j.inoche.2004.09.008

  日期：2004.11

  New metal complexes with two imidazole-carboxylate sets, [Zn(hmia)(2)(H2O)(2)] (hmia = 1-hydroxymethyl-4-imidazoleacetate) (1) and [M(Himdc)(2)(H2O)(2)] (imdc = 4,5-imidazoledicarboxylate) (M = Zn (2), Co (3), Cu (4)), were synthesized and structurally characterized. For all metal complexes, coordination of the two N-O sets of chelating ligands and two water molecules produces a distorted (1-3) and an elongated (4) octahedral coordination center, in which these monomeric units are connected by various intermolecular hydrogen bonds. (C) 2004 Elsevier B.V. All rights reserved.
• MAGNETIC ANALYSIS OF TWO [COBALT-IMIDAZOLE-CARBOXYLATE] COMPLEXES: ORBITAL CONTRIBUTION
  作者：Ramon Arrué、Dominique Toledo、Octavio Peña、Jean-Yves Pivan、Mario Reis、Yanko Moreno

  DOI：10.4067/s0717-97072018000204006

  日期：——

  Two coordination complexes, Co(HIMC)(2)(H2O)(2) (1) and Co(H2IMDC)(2)(H2O)(2) (2), were synthesized by mixing the complex precursor Cobalt(II) hexafluoroacetylacetonate (Co(hfacac)(2)) with 1H-imidazole-4-carboxylic acid (H2IMC) and 1H-imidazole-4,5-imidazoledicarboxylic acid (H3IMDC) ligands.These compounds have been isolated as neutral, air and thermal stable solid and have been characterized by FT-IR and powder X-Ray diffraction analysis. The thermal stability and magnetic properties were studied in the solid state.Compounds (1) and (2) are mononuclear complexes, where the cobalt ions adopt an distorted octahedral geometry. At low temperature they exhibit a weak antiferromagnetic interaction. The contribution of the angular momentum to the magnetic moment as well as intermolecular interactions were taken into consideration for the quantitative modeling of their magnetic properties.
• Cobalt and cadmium complexes with N-heterocyclic dicarboxylic acid ligands: Syntheses, structures, magnetic and fluorescent properties
  作者：Jun-Xia Li、Zhong-Xiang Du、Ling-Zhi Wang、Wei-Ping Huang

  DOI：10.1016/j.ica.2011.07.013

  日期：2011.10

  Two new complexes, [Co(Himdc)(2)(H(2)O)(2)] (1) and [Cd(pzdc)(H(2)O)]center dot H(2)O}(n) (2) (H(2)imdc = imidazole-4, 5-dicarboxylic acid, H(2)pzdc = pyrazine-2, 3-dicarboxylic acid), have been synthesized and structurally characterized. Compound 1 is a new triclinic mononuclear complex formed by two Himdc ligands trans coordinated to the Co(II) center in bidentate chelate mode and two water ligands. Compound 2 shows a two dimensional layer structure in which pzdc(2) dianion ligand adopts unique doubly bridging bis-bidentate mu(4) coordination mode. Temperature-dependent magnetic susceptibilities and thermal stability for 1 and solid-state fluorescent properties for 2 have been discussed in detail. (C) 2011 Elsevier B.V. All rights reserved.