bis(indole-2-carboxylato)(2,9-dimethyl-1,10-phenanthroline)zinc dimethyl sulfoxide solvate | 854936-62-2

• 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: bis(indole-2-carboxylato)(2,9-dimethyl-1,10-phenanthroline)zinc dimethyl sulfoxide solvate
• CAS: 854936-62-2
• 化学式: C₂H₆OS*C₃₂H₂₄N₄O₄Zn
• 分子量: 672.092
• InChiKey: KUYVZTSCZLJFHE-UHFFFAOYSA-L

计算性质

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

• 作为产物：
  描述：

  sodium indole-2-carboxylate 以 水 、 二甲基亚砜 为溶剂， 生成 bis(indole-2-carboxylato)(2,9-dimethyl-1,10-phenanthroline)zinc dimethyl sulfoxide solvate
  参考文献：
  名称：

  Synthesis, crystal structures and IR spectra of isotypic pseudopolymorphs complexes of Zn(II) by indole-2-carboxylic acid and 2,9-dimethyl-1,10-phenanthroline with different solvates (DMA, DMF or DMSO)

  摘要：

  Three ternary complexes of zinc indole-2-carboxylate (2-IC) with 2,9-dimethyl-1,10-phenanthroline (NC) in dimethylacetamide (DMA), dimethylformamide (DMF) or dimethyl sulfoxide (DMSO) were synthesized, their X-ray crystal structure and IR spectra were determined. In compound [Zn(2-IC)(2)(NC)](.)(DMA) (1), Zn is five-coordinate by one bidentate NC ligand and two 2-IC anionic ligands one of which is monodentate, and the other is bidentate. The individual molecules are linked into chains running parallel to the a-axis by intermolecular hydrogen bonding. The crystal structure is completed by a DMA solvate molecule. Compounds [Zn(2-IC)(2)(NC)](.)(DMF) (2) and [Zn(2-IC)(2)(NC)](.)(DMSO) (3) contain one monomeric zinc complex similarto 1 and a disordered solvate molecule (DMF in 2; DMSO in 3) in contrast to 1. In the IR spectra of the three compounds, the most important feature is the appearance of a very broad band at about 3175 cm(-1) presenting a fine structure which can be correlated to hydrogen bonds in N-(HO)-O-... bifurcated links, via inter and intramolecular interactions. A tentative assignment was made to point out the bidentate or monodentate carboxylate groups attached to the Zn atom. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.01.040