bis(acetato-O)bis(urea-O)zinc(II) | 52585-07-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: bis(acetato-O)bis(urea-O)zinc(II)
• 英文别名: bis(acetato)bis(urea)zinc(II)；ZINC;urea;diacetate
• CAS: 52585-07-6；59539-59-2；760146-52-9
• 化学式: C₆H₁₄N₄O₆Zn
• 分子量: 303.59
• InChiKey: SHQZJIWLLXRBRM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -4.44
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  219
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  zinc diacetate 、 尿素 以 水 为溶剂， 生成 bis(acetato-O)bis(urea-O)zinc(II)
  参考文献：
  名称：

  Bis(acetato-O)bis(urea-O)zinc(II), [Zn(H2NCONH2)2(CH3COO)2]

  摘要：

  The title molecular complex, [Zn(C2H3O2)(2)(CH4-N2O)(2)], crystallized from an aqueous solution of urea and zinc acetate in a 2:1 ratio. Zn-II is coordinated by four O atoms in a systematically distorted tetrahedral arrangement, while the complex as a whole has an approximate twofold rotation axis. Each urea ligates via its carbonyl O atom, while each acetate is monodentate. Each non-ligating carbonyl O atom of the acetate ligands accepts an intramolecular hydrogen bond from urea. Intermolecular hydrogen bonds give rise to a layer structure, with the layers stacked by van der Waals attractions only.

  DOI：

  10.1107/s0108270195006974