mercury(II)Cl(3-hydroxy-2-pyridinecarboxylic acid(-H)) | 935533-51-0

• 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: mercury(II)Cl(3-hydroxy-2-pyridinecarboxylic acid(-H))
• 英文别名: mercury(II)Cl(3-hydroxypicolinic acid(-H))
• CAS: 935533-51-0
• 化学式: C₆H₄NO₃*Cl*Hg
• 分子量: 374.146
• InChiKey: VWOUTSJUFNAKKS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.85
• 重原子数：
  12.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  73.25
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  3-羟基-2-吡啶甲酸 、 mercury dichloride 以 乙醇 为溶剂， 生成 mercury(II)Cl(3-hydroxy-2-pyridinecarboxylic acid(-H))
  参考文献：
  名称：

  Coordination modes of 3-hydroxypicolinic acid: Synthesis and structural characterization of polymeric mercury(II) complexes

  摘要：

  Novel mercury(II) compounds of 3-hydroxypicolinic acid (HpicOH; IUPAC name: 3-hydroxy-2-pyridinecarboxylic acid) were synthesized and characterized. HgCl(picOH) (1) and HgBr2(HpicOH) (2) were obtained as reaction products from the reaction of the corresponding mercury(II) halide with HpicOH, irrespective of the molar ratio of the reactants. From the reaction of HpicOH and mercury(II) acetate, Hg(picOH)(2) (3) was obtained, while mercury(II) nitrate monohydrate gave the 1/1 solvate with water Hg(picOH)(2) center dot H2O (3a). Infrared, H-1 and C-13 NMR spectroscopic data were analyzed for complexes 1, 2 and 3. X-ray crystal structure analysis of 1 and 2 revealed their polymeric nature and different coordination modes of HpicOH. In 1 the deprotonated picolinic acid is N,O-chelating and bridging, while in 2 HpicOH is a O-monodentate weakly bound ligand. Compound 1 consists of HgCl(picOH) moieties with two linear covalent bonds, Hg-N 2.143(4) and Hg-Cl 2.298(1) angstrom, and four additional Hg center dot center dot center dot O contacts (2.460(3)-2.904(3) angstrom) in which both oxygen atoms from the carboxylic group are bridging and involved in coordination to three neighboring mercury atoms, thus forming infinite layers. The coordination of mercury is 2 + 4. 2 consists of {HgBr2(HpicOH)} moieties, which are linked into chains by means of mercury to bromine secondary long range interactions. The coordination sphere of mercury can be described as irregular 2 + 3 formed by two covalently bonded bromine atoms (Hg-Br 2.277(1) and 2.366(1) angstrom), two bridging bromine atoms (Hg center dot center dot center dot Br 3.309(1) and 3.247(1) angstrom) and by the HpicOH ligand attached to mercury in the zwitterionic form via the carboxylic oxygen atom (Hg center dot center dot center dot O 2.602(7) angstrom). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.09.094