Ni(2-hydroxybenzaldehyde thiosemicarbazone-2H)(H2O) | 14654-95-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ni(2-hydroxybenzaldehyde thiosemicarbazone-2H)(H2O)
• CAS: 14654-95-6
• 化学式: C₈H₇N₃OS*H₂O*Ni
• 分子量: 269.934
• InChiKey: XIUFITYBOOWEAX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.12
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  107.04
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4,4'-联吡啶 、 Ni(2-hydroxybenzaldehyde thiosemicarbazone-2H)(H2O) 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 以60%的产率得到Ni(salicylaldehyde thiosemicarbazone(-2H))(4,4'-bipyridine)
  参考文献：
  名称：

  Synthesis, structure, sorption and magnetic properties of Ni(II) and Cu(II) complexes with thiosemicarbazone of 2-hydroxybenzaldehyde, bridged by 4,4′-bipyridine

  摘要：

  (ML)(2)(bipy) complexes (LH2 = thiosemicarbazone of 2-hydroxybenzaldehyde, bipy = 4,4'-bipyridine, M = Ni(II), 1, or Cu(II), 2) were synthesized and characterized by X-ray crystallography. Compound 1 possessed porous structure due to peculiarities of crystal packing, whereas 2 formed infinite zig-zag chains with dense non-porous packing. It was shown that 1 absorbed 0.013 cm(3)/g of methanol vapor in two steps. Complex 1 was diamagnetic; for 2, the dependency of chi versus T could be interpreted by Bleaney-Bowers expression in 20-300 K temperature range (J = -6.8 cm(-1), g = 2.07). (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.09.025