α,α'-p-xylylene-N,N'-bis(3-hydroxymethylpyridinium) tetrachlorozincate(II) monohydrate | 1369321-15-2

• 英文名称: α,α'-p-xylylene-N,N'-bis(3-hydroxymethylpyridinium) tetrachlorozincate(II) monohydrate
• CAS: 1369321-15-2
• 化学式: C₂₀H₂₂N₂O₂*Cl₄Zn*H₂O
• 分子量: 547.624
• InChiKey: OFEMXSDGGHMOAZ-UHFFFAOYSA-J

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：

  水 、 zinc(II) chloride dihydrate 、 α,α'-p-xylylene-N,N'-bis(3-hydroxymethylpyridinium) dichloride 以 甲醇 、 水 为溶剂， 以95%的产率得到α,α'-p-xylylene-N,N'-bis(3-hydroxymethylpyridinium) tetrachlorozincate(II) monohydrate
  参考文献：
  名称：

  Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations

  摘要：

  The crystal structures of three isostructural salts 2, 3 and 4 consisting of dication (alpha,alpha'-p-xylylene-N,N'-bis(3-hydroxymethylpyridinium) (L2+)), and tetrachlorometallates, [MCl4](2-) (M = Co(II), Zn(II) and Cu(II) in 2, 3 and 4 respectively) have been reported. Synthesized salts are well characterized by various physico-chemical techniques such as CHN analysis, IR, TGA, DSC, NMR, PXRD and single crystal X-ray diffraction. The crystal lattice of complex 2 is constructed from two types of interactions viz., C-H center dot center dot center dot Cl and O-H center dot center dot center dot Cl H-bonding between the pyridinium dication and the complex anions [CoCl4](2-), whereas only C-H center dot center dot center dot Cl interaction was found to play major role in stabilizing the structures of organic inorganic hybrid complexes 3 and 4. The hierarchy of intermolecular interactions present in solid state, factors controlling the adopted structures of these compounds and their thermal stability are discussed in detail by using various analytical techniques including single crystal X-ray. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.01.023