bis(5-aminotetrazole-1-acetato-κO)tetraaquacobalt(II) | 1159218-08-2

• 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: bis(5-aminotetrazole-1-acetato-κO)tetraaquacobalt(II)
• 英文别名: 2-(5-aminotetrazol-1-yl)acetate;cobalt(2+);tetrahydrate
• CAS: 1159218-08-2
• 化学式: C₆H₁₆CoN₁₀O₈
• 分子量: 415.248
• InChiKey: NIWIGQMUOMIVHM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -9.29
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  224
• 氢给体数：
  6
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  cobalt(II) chloride hexahydrate 、 (5-氨基-1H-四唑-1-基)乙酸 在 KOH 作用下， 以 水 为溶剂， 以80%的产率得到bis(5-aminotetrazole-1-acetato-κO)tetraaquacobalt(II)
  参考文献：
  名称：

  Bis(5-aminotetrazole-1-acetato-κO)tetraaquacobalt(II) andcatena-poly[[cadmium(II)]-bis(μ-5-aminotetrazole-1-acetato-κ³N⁴:O,O′)]

  摘要：

  The Co-II atom in bis(5-aminotetrazole-1-acetato)tetraaquacobalt(II), [Co(C3H4N5O2)(2)(H2O)(4)], (I), is octahedrally coordinated by six O atoms from two 5-aminotetrazole-1-acetate (atza) ligands and four water molecules. The molecule has a crystallographic centre of symmetry located at the Co-II atom. The molecules of (I) are interlinked by hydrogen-bond interactions, forming a two-dimensional supramolecular network structure in the ac plane. The Cd-II atom in catenapoly[[cadmium(II)]-bis(mu-5-aminotetrazole-1-acetato], [Cd(C3H4N5O2)(2)](n), (II), lies on a twofold axis and is coordinated by two N atoms and four O atoms from four atza ligands to form a distorted octahedral coordination environment. The Cd-II centres are connected through tridentate atza bridging ligands to form a two-dimensional layered structure extending along the ab plane, which is further linked into a three-dimensional structure through hydrogen-bond interactions.

  DOI：

  10.1107/s0108270107051098