diaquabis(indole-2-carboxylato)manganese(II) | 92182-01-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: diaquabis(indole-2-carboxylato)manganese(II)
• CAS: 92182-01-9
• 化学式: C₁₈H₁₆MnN₂O₆
• 分子量: 411.273
• InChiKey: KEWHYYJWHIBZAI-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

• 作为反应物：
  描述：

  二甲基亚砜 、 2,9-dimethyl-1,10-phenanthroline hydrate 、 diaquabis(indole-2-carboxylato)manganese(II) 以 二甲基亚砜 为溶剂， 以69.9%的产率得到bis(indole-2-carboxylato)(2,9-dimethyl-1,10-phenanthroline)(dimethylsulfoxide)manganese(II)
  参考文献：
  名称：

  Synthesis, crystal structure and IR spectroscopy of MnII(2-IC)2(NC)(DMSO) and [MnII(2-IC)2(phen)(H2O)]·DMA; (2-HIC, indole-2-carboxylic acid; phen, 1,10-phenanthroline; NC, 2,9-dimethyl-1,10-phenanthroline; DMSO, dimethyl sulfoxide; DMA, dimethyl acetamide); catalysts for the disproportionation of hydrogen peroxide

  摘要：

  Two ternary complexes of manganese(II) indole-2-carboxylate (2-IC) with 2,9-dimethyl-1,10-phenanthroline (NC) and 1,10-phenanthroline (phen) in dimethyl sulfoxide (DMSO) or dimethylacetamide (DMA) were synthesized, their X-ray crystal structure and IR spectroscopy characteristics were determined. In compound Mn-II(2-IC)(2)(NC)(DMSO) (1), Mn(II) is six-coordinate by one bidentate NC ligand and two bidentate 2-IC anionic ligands. The crystal structure has revealed a seven-coordinate Mn(II) when a moderately long contact distance Mn-O (DMSO 2.643(2) Angstrom) is included in the coordination list: the Mn(II) configuration can be described as a distorted capped octahedron. Individual molecules are linked into chains running parallel to the a axis by intermolecular hydrogen bonding. In compound Mn-II(2-IC)(phen)(H2O)] . DMA (2), the manganese atom is six-coordinate by one bidentate phen ligand and two 2-IC anionic ligands one of which is monodentate, and the other is bidentate. The coordination sphere is completed by one water molecule, the Mn(II) environment can be described as a very distorted octahedron. The individual molecules are associated in dimmer structure by intermolecular hydrogen bonding. The crystal structure of 2 is completed by a disordered DMA solvate molecule. These two complexes are catalysts for the disproportionation of H2O2 in the presence of added imidazole. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(03)00126-8
• 作为产物：
  描述：

  sodium hydroxide 、 manganese(II) chloride tetrahydrate 、 吲哚-2-羧酸 以 水 为溶剂， 生成 diaquabis(indole-2-carboxylato)manganese(II)
  参考文献：
  名称：

  Synthesis, crystal structure and IR spectroscopy of MnII(2-IC)2(NC)(DMSO) and [MnII(2-IC)2(phen)(H2O)]·DMA; (2-HIC, indole-2-carboxylic acid; phen, 1,10-phenanthroline; NC, 2,9-dimethyl-1,10-phenanthroline; DMSO, dimethyl sulfoxide; DMA, dimethyl acetamide); catalysts for the disproportionation of hydrogen peroxide

  摘要：

  Two ternary complexes of manganese(II) indole-2-carboxylate (2-IC) with 2,9-dimethyl-1,10-phenanthroline (NC) and 1,10-phenanthroline (phen) in dimethyl sulfoxide (DMSO) or dimethylacetamide (DMA) were synthesized, their X-ray crystal structure and IR spectroscopy characteristics were determined. In compound Mn-II(2-IC)(2)(NC)(DMSO) (1), Mn(II) is six-coordinate by one bidentate NC ligand and two bidentate 2-IC anionic ligands. The crystal structure has revealed a seven-coordinate Mn(II) when a moderately long contact distance Mn-O (DMSO 2.643(2) Angstrom) is included in the coordination list: the Mn(II) configuration can be described as a distorted capped octahedron. Individual molecules are linked into chains running parallel to the a axis by intermolecular hydrogen bonding. In compound Mn-II(2-IC)(phen)(H2O)] . DMA (2), the manganese atom is six-coordinate by one bidentate phen ligand and two 2-IC anionic ligands one of which is monodentate, and the other is bidentate. The coordination sphere is completed by one water molecule, the Mn(II) environment can be described as a very distorted octahedron. The individual molecules are associated in dimmer structure by intermolecular hydrogen bonding. The crystal structure of 2 is completed by a disordered DMA solvate molecule. These two complexes are catalysts for the disproportionation of H2O2 in the presence of added imidazole. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(03)00126-8

文献信息

• Synthesis, crystal structure, spectral properties and catalytic activity of hexakis(imidazole)manganese(II) bisindole-2-carboxylato bisneocuproine bisdimethyl sulfoxide solvates {[MnII(Im)6]·2(2-IC)·2(NC)·2(DMSO)}
  作者：Pascale Lemoine、Vincente Viossat、Elie Dayan、Nguyen-Huy Dung、Bernard Viossat

  DOI：10.1016/j.ica.2006.04.049

  日期：2006.10

  Synthesis, X-ray crystal structure and IR spectrum of [Mn-II(Im)(6)]center dot 2(2-IC)center dot 2(NC)center dot 2(DMSO)} (Im = imidazole, 2-HIC = indole-2-carboxylic acid, NC = 2,9-dimethyl-1,10-phenanthroline, DMSO = dimethyl sulfoxide) are reported. The manganese(II) ion has octahedral geometry with a MnN6 core. The crystal structure is completed by two NC, two 2-IC- and two DMSO solvate molecules. The individual cations are linked into chains running parallel to the a axis by four intermolecular hydrogen bonding involving two 2-IC- solvate. Moreover, these chains are connected by pi-pi stacking interactions which occur between neocuproine molecules related through inversion center. In IR spectroscopy, the compound spectrum is roughly similar to the imidazole one: (i) above 1800 cm(-1), the bands are broad, but when focussing on some of them a doublet structure can be found; (ii) below 1800 cm(-1), the bands are sharp and it is then possible to point out the modification of S-O band when this later is involved in bifurcated hydrogen bonding to a second solvate 2-IC-. The compound catalyses the disproportionation of H2O2; moreover an additional quantity of imidazole increases the reaction rate. (c) 2006 Elsevier B.V. All rights reserved.