[(1,10-phenanthroline) (nitrobenzoato)2 (zinc(II))2(water)] | 814919-71-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [(1,10-phenanthroline) (nitrobenzoato)2 (zinc(II))2(water)]
• 英文别名: zinc;2-nitrobenzoate;1,10-phenanthroline;hydrate
• CAS: 814919-71-6
• 化学式: C₂₆H₁₈N₄O₉Zn
• 分子量: 595.84
• InChiKey: OJDOGQQZDBZPAS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.87
• 重原子数：
  40
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  199
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 邻硝基苯甲酸 、 zinc(II) acetate dihydrate 以 甲醇 为溶剂， 生成 [(1,10-phenanthroline) (nitrobenzoato)2 (zinc(II))2(water)]
  参考文献：
  名称：

  Role of nitro-substituent in pseudo-polymorphism and in synthesis of metal carboxylato complexes of copper, zinc and manganese

  摘要：

  The consequence of nitro-group attached to aromatic ring of 2-nitrobenzoato complexes of copper(II) on pseudo-polymorphism and in synthesis of metal carboxylato complexes is demonstrated and the results are compared with analogous first row transition metal carboxylato complexes. C 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2007.04.026

文献信息

• Steric effects in controlling co-ordination environment in zinc 2-nitrobenzoate complexes
  作者：Abhilasha M. Baruah、Anirban Karmakar、Jubaraj B. Baruah

  DOI：10.1016/j.ica.2008.01.044

  日期：2008.6

  A dinuclear zinc complex having exclusive bis(unidentate) carboxylato co-ordination mode is synthesized through two-step reactions, involving solid phase reaction followed by solution reaction. The formation of such dinuclear species is governed by the ligand under consideration. For example, 2-nitrobenzoate zinc complex having 1,10-phenanthroline is mononuclear whereas a similar complex with 8-aminoquinoline is dinuclear having bis(unidentate) carboxylato co-ordination mode. The reasons for the formation such complex is explained on the basis of the distance of separation of uncoordinated oxygen atoms of the carboxylate oxygen of mononuclear and dinuclear complexes. Zinc 2-nitrobenzoate complexes having 2,2'-bipyridine is mononuclear but with 2-aminopyrimidine has a dinuclear paddle wheel structure. Solution phase reaction of 2-nitrobenzoic acid with zinc(II)acetate in the presence of 8-aminoquinoline gives bis-(8-aminoquinoline)zinc(II) 2-nitrobenzoate. (C) 2008 Elsevier B.V. All rights reserved.
• Aquabis(2-nitrobenzoato-κ<i>O</i>)(1,10-phenanthroline-κ²<i>N</i>,<i>N</i>′)zinc(II)
  作者：Kou-Lin Zhang、Jian-Guo Lin、Ya-Qiong Wang、Wen-Lin Xu、Jiu-Tong Chen

  DOI：10.1107/s0108270104018165

  日期：2004.9.15

  The title compound, [Zn(C7H4NO4)(2)(C12H8N2)(H2O)], has been synthesized. X-Ray analysis reveals that it is a neutral zinc(II) mononuclear carboxylate complex based on mixed Nand O-donor ligands. The Zn atom is five-coordinate in a distorted trigonal-bipyramidal coordination environment involving two O atoms of two monodentate 2-nitrobenzoate molecules, two N atoms of a 1,10-phenanthroline molecule and one O atom of a water molecule. The axial positions are occupied by a carboxylate O atom from the 2-nitrobenzoate ligand and an N atom from the 1,10-phenanthroline ligand [N-Zn-O = 167.66 (9)degrees].