trans-tetraaquabis(6-methylpyridine-3-carboxylato-κO)cobalt(II) tetrahydrate | 1112526-64-3

• 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: trans-tetraaquabis(6-methylpyridine-3-carboxylato-κO)cobalt(II) tetrahydrate
• CAS: 1112526-64-3
• 化学式: C₁₄H₂₀CoN₂O₈
• 分子量: 403.315
• InChiKey: ZVPMPRYQHFKNDH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  6-甲基烟酸 、 水 、 cobalt(II) diacetate tetrahydrate 在 ammonia 作用下， 以 水 为溶剂， 以64.7%的产率得到trans-tetraaquabis(6-methylpyridine-3-carboxylato-κO)cobalt(II) tetrahydrate
  参考文献：
  名称：

  A new coordination mode of 6-methylnicotinic acid intrans-tetraaquabis(6-methylpyridine-3-carboxylato-κO)cobalt(II) tetrahydrate

  摘要：

  The title compound, [Co(C7H6NO2)(2)(H2O)(4)]center dot 4H(2)O, contains a Co-II ion lying n a crystallographic inversion centre. The Co-II ion is octahedrally coordinated by two 6-methylpyridine-3carboxylate ligands in axial positions [Co-O = 2.0621 (9) angstrom] and by four water molecules in the equatorial plane [Co-O = 2.1169 (9) and 2.1223 (11) angstrom]. There are also four uncoordinated water molecules. The 6-methylpyridine-3-carboxylate ligands are bound to the Co-II ion in a monodentate manner through a carboxylate O atom. There is one strong intramolecular O-H center dot center dot center dot O hydrogen bond, and six strong intermolecular hydrogen bonds of type O-H center dot center dot center dot O and one of type O-H center dot center dot center dot N in the packing, resulting in a complex threedimensional supramolecular structure.

  DOI：

  10.1107/s0108270107056570