bis(4-pyridinecarboxamide)-1,6-hexane-N,N'-dioxide | 1370006-06-6

• 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: bis(4-pyridinecarboxamide)-1,6-hexane-N,N'-dioxide
• 英文别名: 1-oxido-N-[6-[(1-oxidopyridin-1-ium-4-carbonyl)amino]hexyl]pyridin-1-ium-4-carboxamide
• CAS: 1370006-06-6
• 化学式: C₁₈H₂₂N₄O₄
• 分子量: 358.397
• InChiKey: TWIGHSZYDURUKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  硫氰酸铵 、 cobalt(II) nitrate hexahydrate 、 bis(4-pyridinecarboxamide)-1,6-hexane-N,N'-dioxide 、 水 以 水 为溶剂， 生成 [Co(bis(4-pyridinecarboxamide)-1,6-hexane-N,N'-dioxide)(SCN)2(H2O)2]*4H2O
  参考文献：
  名称：

  Hydrogen bonds dependent assembly of two novel 1D complexes constructed by bis(4-pyridinecarboxamide)alkanes-N,N′-dioxide

  摘要：

  Two novel complexes of CoL1(SCN)(2)(H2O)(2)center dot 4H(2)O (1) and COL2(SCN)(2)(H2O)(2)center dot 2H(2)O (2) (L-1 = bis(4-pyridinecarboxamide)-1,2-ethane-N,N'-dioxide and L-2 = bis(4-pyridinecarboxamide-1,6-hexane)-N,N'-dioxide) constructed by pre-designed ligands of bis(4-pyridinecarboxamide)alkanes-N,N'-dioxide have been synthesized and structurally characterized. Both compounds contain similar 1D chains bridged by the ligands. However, the chains in 1 and 2 are connected by different interchain hydrogen bonds to form different 2D layers, which depend on the flexibility and length of the ligands. Furthermore, the thermal stability of 1 and 2 were studied by using thermogravimetric analysis and temperature dependent powder X-ray diffraction method. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.01.020

文献信息

• Hydrogen bonds dependent assembly of two novel 1D complexes constructed by bis(4-pyridinecarboxamide)alkanes-N,N′-dioxide
  作者：Wei Cao、Hao-Ling Sun、Zongsheng Li

  DOI：10.1016/j.inoche.2012.01.020

  日期：2012.5

  Two novel complexes of CoL1(SCN)(2)(H2O)(2)center dot 4H(2)O (1) and COL2(SCN)(2)(H2O)(2)center dot 2H(2)O (2) (L-1 = bis(4-pyridinecarboxamide)-1,2-ethane-N,N'-dioxide and L-2 = bis(4-pyridinecarboxamide-1,6-hexane)-N,N'-dioxide) constructed by pre-designed ligands of bis(4-pyridinecarboxamide)alkanes-N,N'-dioxide have been synthesized and structurally characterized. Both compounds contain similar 1D chains bridged by the ligands. However, the chains in 1 and 2 are connected by different interchain hydrogen bonds to form different 2D layers, which depend on the flexibility and length of the ligands. Furthermore, the thermal stability of 1 and 2 were studied by using thermogravimetric analysis and temperature dependent powder X-ray diffraction method. (C) 2012 Elsevier B.V. All rights reserved.