[Hg(4-pyridylthioacetate)Cl]n | 884588-84-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: [Hg(4-pyridylthioacetate)Cl]n
• CAS: 884588-84-5
• 化学式: C₇H₆NO₂S*Cl*Hg
• 分子量: 404.239
• InChiKey: ZXIPRXMYQKHNGL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.07
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  53.02
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4-吡啶巯基乙酸 、 mercury dichloride 在 KOH 作用下， 以 甲醇 、 水 为溶剂， 以53%的产率得到[Hg(4-pyridylthioacetate)Cl]n
  参考文献：
  名称：

  Metal-directed 1-D molecular-box based coordination polymers with mono- and di-nuclear nodes – Construction of 3-D supramolecular networks via hydrogen bonding and S⋯S interactions

  摘要：

  Self-assemblies of 4-pyridylthioacetic acid (Hpyta) with CdCl2 or HgCl2 yield the polymeric metal-organic coordination frameworks [Cd(pyta)(2)(H2O)(n) (1) and [Hg(pyta)Cl](n) (2). X-ray single-crystal diffraction results reveal that both complexes display similar 1-D neutral coordination arrays containing approximate rectangular molecular box subunits, which are, however, linked via mononuclear Cdt(II) and dinuclear Hg2O2, nodes. For 1, the adjacent 1-D motifs are interconnected to form a 2-D layer via O-H center dot center dot center dot O hydrogen bonds and further engender a 3-D network by weak S center dot center dot center dot S interactions; whereas complex 2 possesses a novel 3-D supramolecular architecture with the aid of abundant C-H center dot center dot center dot Cl and S center dot center dot center dot S contacts. Interestingly, due to the intrinsic difference of the metal ions, the carboxylate group of the pyta ligand displays symmetric bidentate chelate mode for I and monoatornic bridging fashion for 2; the latter case is unprecedented in coordination chemistry of pyta. These results clearly suggest that it is an effective synthetic strategy by employing coordinative forces and concomitant noncovalent contacts to construct the fine-tuning supramolecular networks. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.11.038