N,N'-bis-(2,2'-dipyridyl)isophthaloylamide | 325823-56-1

• 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'-bis-(2,2'-dipyridyl)isophthaloylamide
• 英文别名: 1-N,1-N,3-N,3-N-tetrapyridin-2-ylbenzene-1,3-dicarboxamide
• CAS: 325823-56-1
• 化学式: C₂₈H₂₀N₆O₂
• 分子量: 472.506
• InChiKey: JKWZRURULWTJIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 N,N'-bis-(2,2'-dipyridyl)isophthaloylamide 以 乙醇 为溶剂， 以80%的产率得到Cu(di-2-pyridylamine)2(2+)
  参考文献：
  名称：

  SYNTHESIS AND MOLECULAR STRUCTURE OF N,N′-BIS(2,2′-DIPYRIDYL)ISOPHTHALOYLAMIDE AS WELL AS ITS REACTION WITH COPPER(II) PERCHLORATE

  摘要：

  N,N'-Bis(2,2'-dipyridyl)isophthaloylamide (1) and its coordination product with a copper(II) ion, bis-(2,2'-dipyridylamine)copper(II) diperchlorate (2), were prepared and spectroscopically characterized. X-ray structural results indicate that (1) has the expected configuration derived from the reaction between isophthaloyl dichloride and 2,2'-dipyridylamine (dpa) at a ratio of 1:2; while in complex (2), the copper atom is only coordinated to two dpa groups rather than the ligand (1) as anticipated. This known complex has a distorted tetrahedral configuration with two pyridine rings of each dpa moiety nearly co-planar to each other, and the dihedral angle of the two coordinating dpa ligands is 56.8degrees. Furthermore the crystal structural study revealed that two-dimensional networks are formed by weak H-bonding interactions and pi-pi stacking interactions in both (1) and (2).

  DOI：

  10.1081/sim-120013152