trans-(10-amino-3,7-diazadecanoato)dinitrocobalt(III) hydrate | 196614-23-0

• 英文名称: trans-(10-amino-3,7-diazadecanoato)dinitrocobalt(III) hydrate
• CAS: 196614-23-0
• 化学式: C₈H₁₈CoN₅O₆*H₂O
• 分子量: 357.269
• InChiKey: ODTLPYLEBOOYAZ-UHFFFAOYSA-M

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：

  3,3'-二氨基二丙基胺 、 cobalt(II) chloride hexahydrate 、 氯乙酸 、 sodium nitrite 在 NaOH 、 air 、 acetic acid 作用下， 以 水 为溶剂， 生成 trans-(10-amino-3,7-diazadecanoato)dinitrocobalt(III) hydrate
  参考文献：
  名称：

  X-ray crystal structures of trans-(10-amino-3,7-diazadecanoato) dinitrocobalt(III) hydrate, mer(N)-(9-amino-3,7-diazanonato) dinitrocobalt(III) sesquihydrate, mer(N)-{N-(2-aminoethyl-N-(3-aminopropyl)glycinato} dinitrocobalt(III) hydrate and mer-(1,6-diamino-3-azahexane) trinitrocobalt(III)

  摘要：

  X-ray structure analyses have been made on single crystals of trans-[Co(3,3-ma)(NO2)(2)]. H2O (1), mer(N)-[Co(2,3-ma)(NO2)(2)]. 1.5H(2)O (2), mer(N)-[Co(i-2,3-ma)(NO2)(2)]. H2O (3) and mer-[Co(NO2)(3)(2,3-tril)] (4); where H(3,3-ma) stands for 10-amino-3,7-diazadecanoic acid H2NCH2CH2CH2NHCH2CH2CH2NHCH2 COOH, H(2,3-ma) for 9-amino-3, 7-diazanonanoic acid H2NCH2CH2NHCH2CH2CH2NHCH2COOH, H(i-2,3-ma) for N-(2-aminoethyl)-N-(3-aminopropyl)glycine (H2NCH2CH2)N (CH2CH2CH2NH2)CH2COOH and 2,3-tri for 1,6-diamino-3-azahexane. 1, 3 and 4 crystallize as a racemate in a monoclinic space group P2(1)/n, 2 as a racemate in a triclinic space group P (1) over bar. In 1, the two nitro ligands coordinate to cobalt (III) at the trans position of the octahedron. In 2, 3 and 4, the polydentates coordinate to cobalt (III) with their three amino nitrogen atoms on a meridian of the octahedron. In these complexes, the trimethylenediamine rings assume the chair structure and the nitro ligand planes are anchored by intermolecular and intramolecular hydrogen bonds to amine protons or to protons of the water of crystallization. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(97)00159-9