Cd(2-oxonicotinate)(pyridine-4-carboxylate)(H2O) | 1414253-01-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Cd(2-oxonicotinate)(pyridine-4-carboxylate)(H2O)
• 英文别名: Cd(HnicO)(pyc)(H2O)
• CAS: 1414253-01-2
• 化学式: C₆H₄NO₂*C₆H₄NO₃*Cd*H₂O
• 分子量: 390.631
• InChiKey: GIVOKPJSJZIWQQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.64
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  157.51
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  异烟酸 、 2-氯烟酸 、 cadmium(II) acetate dihydrate 以 水 为溶剂， 反应 72.0h， 以68%的产率得到Cd(2-oxonicotinate)(pyridine-4-carboxylate)(H2O)
  参考文献：
  名称：

  Synthesis, crystal structure, thermal, and photoluminescence properties of Cd carboxylate coordination polymers: a new 2-D structure and reinvestigation of Cd tartrate

  摘要：

  A new 2-D coordination polymer, [Cd(HnicO)(pyc)(H2O)](n) (1) (H(2)nicO = 2-oxynicotinic acid, pycH = pyridine-4-carboxylic acid), and the [Cd-3(tartr)(3)](n) salt (2) (tartrH(2) = tartaric acid) have been synthesized and structurally characterized. The former is stabilized by H-bonds to give a 3-D architecture. Complex 2, that represents a reinvestigation of Cd tartrate, has been compared with isomorphous [Cd-3(tartr)(3)] structures in terms of the unit cell void and the respective water content, indicating for these compounds the aptitude to crystallize with a small, but different, amount of lattice water. Thermogravimetric and luminescent characterization of 1 were performed.

  DOI：

  10.1080/00958972.2012.721881