[2-(aminoethyl)pyridine-κ2N,N']bis(saccharinato-κN)zinc(II) | 676623-94-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: [2-(aminoethyl)pyridine-κ2N,N']bis(saccharinato-κN)zinc(II)
• 英文别名: (2-aminoethylpyridine-kappa^2^N,N')bis(saccharinato-kappaN)zinc(II)；zinc;1,1-dioxo-1,2-benzothiazol-2-id-3-one;2-pyridin-2-ylethanamine
• CAS: 676623-94-2
• 化学式: C₂₁H₁₈N₄O₆S₂Zn
• 分子量: 551.919
• InChiKey: CYDBGTUZDRSFCW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.39
• 重原子数：
  34
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  160
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-(2-氨乙基)吡啶 、 tetraaquabis(saccharinato)zinc(II) dihydrate 以 甲醇 、 水 为溶剂， 生成 [2-(aminoethyl)pyridine-κ2N,N']bis(saccharinato-κN)zinc(II)
  参考文献：
  名称：

  Bis(saccharinato-κN)zinc(II) complexes withN,N′-bidentate 2-aminomethylpyridine and 2-aminoethylpyridine

  摘要：

  The structures of trans-bis[2-(aminomethyl) pyridine-kappa(2)N,N']bis(saccharinato-kappaN) zinc(II), [Zn(C7H4NO3S)(2)(C6H8N2)(2)], (I), and [2-(aminoethyl) pyridine-kappa2N,N'] bis(saccharinato-kappaN)zinc(II), [Zn(C7H4NO3S)(2)(C7H10N2)], (II), exhibit octa-and tetrahedrally coordinated Zn-II atoms, respectively. The diamine ligands behave as N,N'-bidentate ligands, while saccharinate (sac) is coordinated through the N atom. In (I), the complex lies about an inversion centre with the Zn atom disordered and displaced by 0.256 (2) Angstrom from a centre of symmetry towards a sac N atom. The crystal structure of (I) is stabilized by N-H...O hydrogen bonds and the crystal packing of (II) is determined by hydrogen bonding as well as weak pi-pi stacking interactions between the sac ligands.

  DOI：

  10.1107/s0108270103027653