| 148100-35-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 148100-35-0
• 化学式: C₁₀H₁₀Cl₂N₈O₄Zn₂
• 分子量: 507.927
• InChiKey: JXPGMIZORKZOLC-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  zinc(II) chloride 、 别嘌醇 以 水 为溶剂， 生成
  参考文献：
  名称：

  Interaction of metal ions with the antihyperuricemic drug allopurinol (H₂L): synthesis and crystal structure of dimeric [Zn₂(µ-HL)₂Cl₂(H₂O)₂]

  摘要：

  The complex Zn(II)(HL)Cl(H2O) (H-2L = allopurinol = 1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one) has been crystallized from aqueous solution. Crystal data: triclinic, space group P1- (no. 2), a = 7.052(2), b = 7.726(2), c = 8.341(4) angstrom, alpha = 69.78(3), beta = 87.75(3), gamma = 68.27(3)degrees and Z = 2. The complex exhibits a new centrosymmetric dimeric structure of the type [Zn2(mu-HL)2Cl2(H2O)2]. Two zinc ions with an intramolecular metal-to-metal distance of 3.713(2) angstrom are bridged by two N(8)-N(9)-chelating anionic allopurinol ligands. The dimeric complex units are stabilized by an extended network of hydrogen bonding contacts. The co-ordinating allopurinol rings are stacked with a mean spacing distance of 3.39 angstrom. A review of the co-ordinating properties of neutral, anionic and cationic allopurinol including recent crystallographic data is given.

  DOI：

  10.1039/dt9930000941