[In(2,6-pyridinedicarboxylate)(H2O)F] | 1256157-65-9

• 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: [In(2,6-pyridinedicarboxylate)(H2O)F]
• CAS: 1256157-65-9
• 化学式: C₇H₃NO₄*F*H₂O*In
• 分子量: 316.939
• InChiKey: MMGDKKMLEYQWKK-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -6.39
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  124.65
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  [In(2,6-pyridinedicarboxylate)(H2O)F] 以 neat (no solvent) 为溶剂， 生成 indium(III) oxide
  参考文献：
  名称：

  In[NC5H3(CO2)2](OH2)F: A new layered indium-organic framework material (NC5H3(CO2)2=2,6-pyridinedicarboxylate)

  摘要：

  A new layered indium-organic framework material, In[NC5H3(CO2)(2)](OH2)F has been synthesized by a hydrothermal reaction using In2O3, NH4F, 2,6-NC5H3(CO2H)(2) (2,6-pyridinedicarboxylic acid), HF, and water at 200 degrees C. Single-crystal X-ray diffraction was used to determine the structure of the reported material. In[NC5H3(CO2)(2)](OH2)F has a novel layered structure consisting of InO5NF polyhedra and the pyridinedicarboxylate organic linker. Detailed structural analyses with full characterization including infrared spectrum, thermogravimetric analysis, elemental analysis, exchange reactions for the coordinated water molecule, and gas adsorption experiments are reported. (C) 2010 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2010.08.016
• 作为产物：
  描述：

  indium(III) oxide 、 吡啶-2,6-二甲酸 、 氟化铵 、 氢氟酸 以 水 为溶剂， 以23%的产率得到[In(2,6-pyridinedicarboxylate)(H2O)F]
  参考文献：
  名称：

  In[NC5H3(CO2)2](OH2)F: A new layered indium-organic framework material (NC5H3(CO2)2=2,6-pyridinedicarboxylate)

  摘要：

  A new layered indium-organic framework material, In[NC5H3(CO2)(2)](OH2)F has been synthesized by a hydrothermal reaction using In2O3, NH4F, 2,6-NC5H3(CO2H)(2) (2,6-pyridinedicarboxylic acid), HF, and water at 200 degrees C. Single-crystal X-ray diffraction was used to determine the structure of the reported material. In[NC5H3(CO2)(2)](OH2)F has a novel layered structure consisting of InO5NF polyhedra and the pyridinedicarboxylate organic linker. Detailed structural analyses with full characterization including infrared spectrum, thermogravimetric analysis, elemental analysis, exchange reactions for the coordinated water molecule, and gas adsorption experiments are reported. (C) 2010 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2010.08.016