[Co2(pyridine-2,6-dicarboxylate)2(H2O)5]*H2O*DMF | 697740-60-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: [Co2(pyridine-2,6-dicarboxylate)2(H2O)5]*H2O*DMF
• 英文别名: [Co2(pda)2(H2O)5]*H2O*DMF
• CAS: 697740-60-6
• 化学式: C₃H₇NO*C₁₄H₁₆Co₂N₂O₁₃*H₂O
• 分子量: 629.383
• InChiKey: XZFOQYYOSUHYMM-UHFFFAOYSA-J

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 、 吡啶-2,6-二甲酸 、 水 、 N,N-二甲基甲酰胺 以 水 为溶剂， 以30%的产率得到[Co2(pyridine-2,6-dicarboxylate)2(H2O)5]*H2O*DMF
  参考文献：
  名称：

  2D and 3D binuclear cobalt supramolecular complexes: synthesis and crystal structures

  摘要：

  Three binuclear cobalt supramolecular complexes [(pda)(2)Co-2(H2O)(5)](DMF)(H2O) (1) (H(2)pda = pyridine-2,6-dicarboxylic acid), [(dbtO)Co-2(CH3CN)(H2O)(7)](CH3CN)(NO3)(3) (2) (dbto=4,6-di-1H-1,2,3-benzotriazol-1-yl-1,3,5-triazin-2-ol), and [(pyz)Co-2(H2O)(10)](SO4)(2)(H2O)(2) (3) (pyz = pyrazine) were synthesized through hydrothermal, solid-state and solution synthetic method, respectively. These supramolecular complexes have been structurally characterized by X-ray single crystal diffraction. The structure of (1) consists of binuclear neutral units, which show butterfly-like forms. In (2), the bent configuration of dbto has accommodated the formation of the horse-shoe-like unit. The two cobalt atoms in binuclear unit of (3) are equivalent since the unit has a symmetry center passing through the center of pyz. In each compound, all the units are held together by means of hydrogen bonds forming 3-D structure for (1) and (3) and 2-D structure for (2). (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.01.036