chloro(5-(2-pyridyl)tetrazole-2-acetate)cadmium(II) | 1234655-81-2

• 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: chloro(5-(2-pyridyl)tetrazole-2-acetate)cadmium(II)
• CAS: 1234655-81-2
• 化学式: C₈H₆N₅O₂*Cd*Cl
• 分子量: 352.031
• InChiKey: RUHBUJDXWTWXJE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -4.51
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  96.62
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  aqueous cadmium chloride 、 (5-吡啶-2-基-四唑-2-基)-乙酸 以 甲醇 、 水 为溶剂， 以48%的产率得到chloro(5-(2-pyridyl)tetrazole-2-acetate)cadmium(II)
  参考文献：
  名称：

  Synthesis, crystal structures, and luminescence properties of two new coordination compounds [Zn(pytza)2(H2O)2] and [CdCl(pytza)]n (Hpytza=5-(2-pyridyl)tetrazole-2-acetic acid)

  摘要：

  Reactions of Hpytza (Hpytza = 5-(2-pyridyl)tetrazole-2-acetic acid) with ZnCl2 or CdCl2 under hydrothermal conditions, produced two new compounds, [Zn(pytza)(2)(H2O)(2)] (1) and [CdCl(pytza)](n) (2). Both compounds were structurally characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. Compound 1 is mononuclear while compound 2 shows a two-dimensional network. Furthermore, the luminescence properties of I and 2 were investigated at room temperature in the solid state. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2009.11.024