[Co(6-amino-2-thiouracilate)(1,2-diaminoethane)2]ClO4 * H2O | 168067-02-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: [Co(6-amino-2-thiouracilate)(1,2-diaminoethane)2]ClO4 * H2O
• CAS: 168067-02-5
• 化学式: C₈H₁₉CoN₇OS*ClO₄*H₂O
• 分子量: 437.81
• InChiKey: HXRPFWLHRFICKM-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：

  6-氨基-2-硫脲嘧啶 、 trans-dichlorobis(ethylenediamine)cobalt(III) chloride 、 sodium perchlorate 在 NaOH 作用下， 以 水 为溶剂， 生成 tris(ethylenediamine)cobalt(III) 、 、 、 [Co(6-amino-2-thiouracilate)(1,2-diaminoethane)2]ClO4 * H2O
  参考文献：
  名称：

  An unusual dimerization of 6-amino-2-thiouracilate in a cobalt(III) complex

  摘要：

  Thermal reaction between trans-[CoCl2(en)(2)]Cl ten = ethane-1,2-diamine), H(2)atuc (6-amino-2-thiouracil) and NaOH in the presence of activated charcoal produced two red complexes 1 and 2. The crystal structures of complexes 1 and 2 were determined from 5090 and 4567 reflections to R= 0.048 (R' = 0.052) and 0.055 (0.068), respectively. Complex 1 has the composition [Co(atuc)(en)(2)](+) where atuc co-ordinates through atoms 2-S and 3-N. Complex 2 has an unusual composition [Co(HL)(en)(2)](+) {H(3)L = 6-amino-5-6-amino-4-oxo-(1H)-pyrimidin-2-yl]thio-2,3-dihydro-2-thioxo-(1 H)-pyrimidin-4-one}:a new bond is formed between the 5-carbon atom of the co-ordinated atuc and the 2-sulfur atom of an unco-ordinated atuc, that is the atuc is dimerized. This complex has self-associated double intermolecular hydrogen bonds in the crystals in addition to an intramolecular hydrogen bond.

  DOI：

  10.1039/dt9950002627