uns-cis-mer (pyridine-2-carboxylato-N,O)(ethylenediaminediacetato-N,N',O,O')cobalt(III) | 136900-44-2

• 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: uns-cis-mer (pyridine-2-carboxylato-N,O)(ethylenediaminediacetato-N,N',O,O')cobalt(III)
• CAS: 136900-44-2
• 化学式: C₁₂H₁₄CoN₃O₆
• 分子量: 355.253
• InChiKey: KYYYXTSJMTVALR-UHFFFAOYSA-K

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：

  2-吡啶甲酸 、 以 盐酸 为溶剂， 生成 uns-cis-mer (pyridine-2-carboxylato-N,O)(ethylenediaminediacetato-N,N',O,O')cobalt(III)
  参考文献：
  名称：

  Structure of uns-cis-mer (pyridine-2-carboxylato-N,O)(ethylenediaminediacetato-N,N',O,O')cobalt(III)

  摘要：

  C12H14CoN3O6, M(r) = 355.19, orthorhombic, Pccn, a = 8.838 (3), b = 24.221 (5), c = 12.553 (2) angstrom, V = 2687.03 angstrom 3, Z = 8, D(x) = 1.756 g cm-3, lambda(Mo K-alpha) = 0.7107 angstrom, mu = 12.4 cm-1, F(000) = 1456, room temperature, final R = 0.052 for 2044 unique reflections. The geometry about the Co atom is roughly octahedral with the edda (ethylenediaminediacetato) ligand assuming an uns-cis configuration such that there is one out-of-plane acidate (R) ring and one in-plane amino acidate (G) ring. The pic (picolinato, pyridine-2-carboxylato) ligand bonds to the remaining coordination sites such that the three nitrogen donors are meridional.

  DOI：

  10.1107/s0108270190010861