3,3'-bis[N-(2-pyridylmethyl)carbamoyl]-2,2'-bipyridine | 1028027-11-3

• 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: 3,3'-bis[N-(2-pyridylmethyl)carbamoyl]-2,2'-bipyridine
• 英文别名: N-(pyridin-2-ylmethyl)-2-[3-(pyridin-2-ylmethylcarbamoyl)pyridin-2-yl]pyridine-3-carboxamide
• CAS: 1028027-11-3
• 化学式: C₂₄H₂₀N₆O₂
• 分子量: 424.462
• InChiKey: ROZHLFAGSOYFJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  potassium tetrachloropalladate(II) 、 二氯甲烷 、 3,3'-bis[N-(2-pyridylmethyl)carbamoyl]-2,2'-bipyridine 在 Et₃N 作用下， 以 二氯甲烷 、 水 为溶剂， 以31%的产率得到Pd2(3,3'-bis[N-(2-pyridylmethyl)carbamoyl]-2,2'-bipyridine-2H)Cl2*CH2Cl2
  参考文献：
  名称：

  Twisted dinuclear Pd(II) complex with an exo-hexadentate ligand bearing bipyridine and carbamoly groups: Synthesis and structure

  摘要：

  Dinuclear Pd(II) compound, [Pd-2(PMCB2-)Cl-2] center dot CH2Cl2 (1), has been prepared by the reaction of K-2[PdCl4] with exo-hexadentate ligand having amide groups (3,3'-bis[N-(2-pyridylmethyl)carbamoly]-2,2'-bipyridine, H2PMCB) in H2O/CH2Cl2. X-ray crystal structure of 1 indicates that one PMCB2- ligand binds two Pd(II) ions each having a distorted square planar structure. The bipyridine group of the PMCB2- ligand is involved in offset face-to-face pi-pi interactions, which gives rise to a 1D chain. The 1D chains are linked together via the C-H...O hydrogen bondings between a carbon atom of pyridine group and the oxygen of carbamoly group to generate a 2D network. Between the 2D networks there exist the herringbone pi-pi stackings, which results in a 3D supramolecular structure. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2007.04.012

文献信息

• Twisted dinuclear Pd(II) complex with an exo-hexadentate ligand bearing bipyridine and carbamoly groups: Synthesis and structure
  作者：Ock Keum Kwak、Jeum Jong Kim、Kil Sik Min、Jineun Kim、Bong Gon Kim

  DOI：10.1016/j.inoche.2007.04.012

  日期：2007.7

  Dinuclear Pd(II) compound, [Pd-2(PMCB2-)Cl-2] center dot CH2Cl2 (1), has been prepared by the reaction of K-2[PdCl4] with exo-hexadentate ligand having amide groups (3,3'-bis[N-(2-pyridylmethyl)carbamoly]-2,2'-bipyridine, H2PMCB) in H2O/CH2Cl2. X-ray crystal structure of 1 indicates that one PMCB2- ligand binds two Pd(II) ions each having a distorted square planar structure. The bipyridine group of the PMCB2- ligand is involved in offset face-to-face pi-pi interactions, which gives rise to a 1D chain. The 1D chains are linked together via the C-H...O hydrogen bondings between a carbon atom of pyridine group and the oxygen of carbamoly group to generate a 2D network. Between the 2D networks there exist the herringbone pi-pi stackings, which results in a 3D supramolecular structure. (c) 2007 Elsevier B.V. All rights reserved.