N,N'-di(p-trifluoromethylphenyl)terephthaloyldiamide | 181872-47-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N'-di(p-trifluoromethylphenyl)terephthaloyldiamide
• 英文别名: 1-N,4-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
• CAS: 181872-47-9
• 化学式: C₂₂H₁₄F₆N₂O₂
• 分子量: 452.356
• InChiKey: ORCOSWVTEGEJLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  二氯甲烷 、 trans-Mo2(DAniF)2(OOCCH3)2 、 N,N'-di(p-trifluoromethylphenyl)terephthaloyldiamide 在 NaOCH₃ 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以54%的产率得到[cis-Mo2(N,N'-di(p-anisyl)formamidinate)2]4(N,N'-di(p-trifluoromethylphenyl)terephthaloyldiamidate)4*2(dichloromethane)
  参考文献：
  名称：

  Dimolybdenum-Containing Molecular Triangles and Squares with Diamidate Linkers:  Structural Diversity and Complexity

  摘要：

  By employing cis-Mo-2(DAniF)(2)(2+) (DAniF = N,N'-di(p-anisyl)formamidinate) as the vertex building block and terephthaloyldiamidate as the linker, four dimolybdenum-containing cyclic oligomers have been synthesized and structurally characterized. In these compounds, described by the general formula [CiS-Mo-2(DAniF)(2)((ArNOC)(2)C6H4)(2)](n), n = 3 and 4, the geometry and composition of the products are affected by the identity of the aromatic groups of the linker. When Ar = phenyl, n = 3 (1a and 1b); however, n = 4 for Ar = p-trifluoromethylphenyl (2) and when Ar = m-trifluoromethylphenyl (3). All these compounds have a central cavity, shaped by the diamidate linker, that is capable of serving as host to guest molecules in a selective manner. For compounds 2 and 3, self-assembly that takes place in the crystalline state entails intermolecular C-(HF)-F-...-C interactions. Such interactions generate a one-dimensional network with a tunnel cross section of 10 x 10 angstrom(2) in 2, whereas in 3, they result in a cage in which two THF molecules are encapsulated. The (FH)-H-... distances vary in a broad range from 2.38 to 2.70 angstrom.

  DOI：

  10.1021/ic0521473

文献信息

• Dimolybdenum-Containing Molecular Triangles and Squares with Diamidate Linkers:  Structural Diversity and Complexity
  作者：F. Albert Cotton、Chun Y. Liu、Carlos A. Murillo、Xiaoping Wang

  DOI：10.1021/ic0521473

  日期：2006.3.1

  By employing cis-Mo-2(DAniF)(2)(2+) (DAniF = N,N'-di(p-anisyl)formamidinate) as the vertex building block and terephthaloyldiamidate as the linker, four dimolybdenum-containing cyclic oligomers have been synthesized and structurally characterized. In these compounds, described by the general formula [CiS-Mo-2(DAniF)(2)((ArNOC)(2)C6H4)(2)](n), n = 3 and 4, the geometry and composition of the products are affected by the identity of the aromatic groups of the linker. When Ar = phenyl, n = 3 (1a and 1b); however, n = 4 for Ar = p-trifluoromethylphenyl (2) and when Ar = m-trifluoromethylphenyl (3). All these compounds have a central cavity, shaped by the diamidate linker, that is capable of serving as host to guest molecules in a selective manner. For compounds 2 and 3, self-assembly that takes place in the crystalline state entails intermolecular C-(HF)-F-...-C interactions. Such interactions generate a one-dimensional network with a tunnel cross section of 10 x 10 angstrom(2) in 2, whereas in 3, they result in a cage in which two THF molecules are encapsulated. The (FH)-H-... distances vary in a broad range from 2.38 to 2.70 angstrom.