catena-poly([((di-2-pyridyl-κN-amine)copper(II))-μ-benzene-1,4-dicarboxylato-κ4-O1,O1':O4,O4']hydrate) | 300811-85-2

• 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: catena-poly([((di-2-pyridyl-κN-amine)copper(II))-μ-benzene-1,4-dicarboxylato-κ4-O1,O1':O4,O4']hydrate)
• 英文别名: (2,2'-dipyridylamine)(terephthalato)copper(II) hydrate；[Cu(terephthalate)(2,2'-dipyridilamine)]*H2O；[Cu(tpht)(dipya)]*H2O
• CAS: 300811-85-2
• 化学式: C₈H₄O₄*C₁₀H₉N₃*Cu*H₂O
• 分子量: 416.88
• InChiKey: WDNWYUCRZMAHBQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.19
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  149.57
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  catena-poly([((di-2-pyridyl-κN-amine)copper(II))-μ-benzene-1,4-dicarboxylato-κ4-O1,O1':O4,O4']hydrate) 以 neat (no solvent) 为溶剂， 生成 [Cu(terephthalate)(2,2'-dipyridilamine)]
  参考文献：
  名称：

  含有对苯二甲酸酯配体的混合配体 Co(II)、Ni(II) 和 Cu(II) 配合物的热行为

  摘要：

  摘要 通过热重和差示扫描量热技术研究了一系列与对苯二甲酸根离子和一些芳族二胺的三元 Co(II)、Ni(II) 和 Cu(II) 配合物的热行为。复合物的脱水过程非常相似——它们中的大多数都在一个步骤中失水。脱水产品的热稳定性按 Co 的顺序增加

  DOI：

  10.1016/j.tca.2003.10.015
• 作为产物：
  描述：

  铜 、 2,2'-二吡啶胺 、 对苯二甲酸酯(2-) 以 乙醇 、 水 为溶剂， 生成 catena-poly([((di-2-pyridyl-κN-amine)copper(II))-μ-benzene-1,4-dicarboxylato-κ4-O1,O1':O4,O4']hydrate)
  参考文献：
  名称：

  含有对苯二甲酸酯配体的混合配体 Co(II)、Ni(II) 和 Cu(II) 配合物的热行为

  摘要：

  摘要 通过热重和差示扫描量热技术研究了一系列与对苯二甲酸根离子和一些芳族二胺的三元 Co(II)、Ni(II) 和 Cu(II) 配合物的热行为。复合物的脱水过程非常相似——它们中的大多数都在一个步骤中失水。脱水产品的热稳定性按 Co 的顺序增加

  DOI：

  10.1016/j.tca.2003.10.015

文献信息

• Mixed ligand Co(II), Ni(II) and Cu(II) complexes containing terephthalato ligands. Crystal structures of diaqua(2,2′-dipyridylamine)(terephthalato)metal(II) trihydrates (metal=cobalt or nickel)
  作者：Jelena Rogan、Dejan Poleti、Ljiljana Karanović、Goran Bogdanović、Anne Spasojević-de Biré、Dragoslav M Petrović

  DOI：10.1016/s0277-5387(00)00435-6

  日期：2000.6

  A series of nine ternary Co(II), Ni(II) and Cu(II) complexes with some aromatic diamines and dianion of terephthalic acid (tpht) have been synthesized and characterized by elemental analysis, magnetic susceptibility measurements, IR and diffuse-reflectance spectroscopy. All compounds were obtained as microcrystalline solids, stable in air and insoluble in common solvents. Two of them, [M(tpht)(dipya)(H2O)(2)]. 3H(2)O [M = Co(II), Ni(II); dipya = 2,2'-dipyridylamine], were obtained as single crystals and their crystal structures have been determined by X-ray structure analysis. Both structures consist of discrete [M(tpht)(dipya)(H2O)(2)](2+) complex units with two H2O molecules in the trans position. Three additional H2O molecules together with coordinated H2O and O atoms from COO groups make a three-dimensional network of hydrogen bonds. Terephthalato ligands are coordinated by only one COO group, which acts as a chelating ligand. Central metal ions are in a distorted octahedral environment. Based on the above-mentioned analysis and known crystal structures, the possible structures and geometry of the complexes are discussed. All Co(II) and Ni(II) complexes are pseudooctahedral and mononuclear, with only one of the tpht COO groups coordinated in a chelate mode. Cu(II) complexes have probably distorted octahedral geometry with bridging role of tpht ions and monodentate or strongly asymmetric coordination of COO groups. (C) 2000 Elsevier Science Ltd. All rights reserved.