aquatris(4-methylimidazole)orotatocobalt(II) | 915199-16-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: aquatris(4-methylimidazole)orotatocobalt(II)
• 英文别名: Co(HOr)(H2O)(4-Meim)3
• CAS: 915199-16-5
• 化学式: C₁₇H₂₂CoN₈O₅
• 分子量: 477.405
• InChiKey: ZYKKFWACFPOVBM-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：
  None
• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  aquatris(4-methylimidazole)orotatocobalt(II) 以 neat (no solvent) 为溶剂， 生成 tris(4-methylimidazole)orotatocobalt(II)
  参考文献：
  名称：

  Synthesis and spectrothermal studies of vitamin B13 complexes of cobalt(II) and nickel(II) with 4-methylimidazole: Crystal structure of [Ni(HOr)(H2O)(4-Meim)3]2·5H2O

  摘要：

  The aquatris(4-methylimidazole)orotatocobalt(II), [Co(HOr)(H2O)(4-Meim)(3)] (1) and bis[aquatris(4-methylimidazole)orotatonickel(II)] pentahydrate, [Ni(HOr)(H2O)(4-Meim)(3)](2) center dot 5H(2)O (2) have been synthesized and characterized by means of elemental analysis, thermal analysis, IR, UV-Vis and mass spectroscopic studies. The crystal structure of 2 was also determined by single crystal X-ray diffraction. The Ni(II) complex contains the isomers Lambda and Delta of [Ni(HOr)(H2O)(4-Meim)(3)], self-assembled through complementary pi-pi and C-H center dot center dot center dot pi interactions, leading to an intricate two-dimensional array. The Co(II) and Ni(II) ions in [M(C5H2N2O4)(H2O)(C4H6N2)(3)] are chelated to the deprotonated N3 pyrimidine atom and to the carboxylate oxygen atom of the bidentate orotate dianion, and to the three nitrogen atoms of the 4-Meim ligands, and their octahedral geometries are completed by an aqua ligand. The thermal decomposition pathway of the complexes has been predicted by the help of thermal analysis (TG, DTG and DTA) and mass spectroscopic data. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.05.010
• 作为产物：
  描述：

  4-甲基咪唑 、 tetraaqua-orotato cobalt(II) hydrate 以 甲醇 、 水 为溶剂， 生成 aquatris(4-methylimidazole)orotatocobalt(II)
  参考文献：
  名称：

  Synthesis and spectrothermal studies of vitamin B13 complexes of cobalt(II) and nickel(II) with 4-methylimidazole: Crystal structure of [Ni(HOr)(H2O)(4-Meim)3]2·5H2O

  摘要：

  The aquatris(4-methylimidazole)orotatocobalt(II), [Co(HOr)(H2O)(4-Meim)(3)] (1) and bis[aquatris(4-methylimidazole)orotatonickel(II)] pentahydrate, [Ni(HOr)(H2O)(4-Meim)(3)](2) center dot 5H(2)O (2) have been synthesized and characterized by means of elemental analysis, thermal analysis, IR, UV-Vis and mass spectroscopic studies. The crystal structure of 2 was also determined by single crystal X-ray diffraction. The Ni(II) complex contains the isomers Lambda and Delta of [Ni(HOr)(H2O)(4-Meim)(3)], self-assembled through complementary pi-pi and C-H center dot center dot center dot pi interactions, leading to an intricate two-dimensional array. The Co(II) and Ni(II) ions in [M(C5H2N2O4)(H2O)(C4H6N2)(3)] are chelated to the deprotonated N3 pyrimidine atom and to the carboxylate oxygen atom of the bidentate orotate dianion, and to the three nitrogen atoms of the 4-Meim ligands, and their octahedral geometries are completed by an aqua ligand. The thermal decomposition pathway of the complexes has been predicted by the help of thermal analysis (TG, DTG and DTA) and mass spectroscopic data. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.05.010