catena-poly[[aqua(2,2'-bipyridine-κ2N,N')manganese(II)]-μ-terephthalato-κ3O,O':O''] | 742072-18-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: catena-poly[[aqua(2,2'-bipyridine-κ2N,N')manganese(II)]-μ-terephthalato-κ3O,O':O'']
• 英文别名: [Mn(tp)(bpy)(H2O)]n；[Mn(terephthalate)(2,2'-bipyridine)(water)]n
• CAS: 742072-18-0
• 化学式: C₈H₄O₄*C₁₀H₈N₂*H₂O*Mn
• 分子量: 393.258
• InChiKey: APKAEOSMVGKQQM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.27
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  137.54
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2,2'-联吡啶 、 对苯二甲酸 、 manganese (II) acetate tetrahydrate 以 水 为溶剂， 以32%的产率得到catena-poly[[aqua(2,2'-bipyridine-κ2N,N')manganese(II)]-μ-terephthalato-κ3O,O':O'']
  参考文献：
  名称：

  Syntheses, crystal structures and magnetic behaviors of three MnII-terephthalate coordination polymers containing terminal ligands

  摘要：

  Three Mn-II-terephthalate coordination polymers, {Mn-II(tp)(bpy)(H2O)}, (1), {Mn-3(II)(tp)(6/2)(bpy)(2) center dot (dmf)}(n) (2) and {Mn-II(tp)(phen)}(n) (3) (tp = terephthalic dianion, bpy = 2,2'-bipyridine, phen = 1,10-phenanthroline) have been synthesized and characterized by single crystal X-ray diffraction studies and low temperature (2-300 K) magnetic measurements. The structure analysis of 1-3 show that they all are coordination polymers composed of Mn atoms as nodes and terephthalate dianions as spacers. Interestingly, compound 1 consists of 1D infinite zigzag chains, while compound 2 consists of 2D sheets and compound 3 has a 3D framework structure. The study of the temperature dependent magnetic susceptibilities revealed that all of the polymers show antiferromagnetism. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.04.029

文献信息

• <i>catena</i>-Poly[[aqua(2,2′-bipyridine-κ²<i>N</i>,<i>N</i>′)manganese(II)]-μ-terephthalato-κ³<i>O</i>,<i>O</i>′:<i>O</i>′′]
  作者：Cheng-Bing Ma、Ming-Qiang Hu、Chun-Xia Zhang、Feng Chen、Chang-Neng Chen、Qiu-Tian Liu

  DOI：10.1107/s0108270104007565

  日期：2004.6.15

  The title complex, [Mn(C8H4O4)(C10H8N2)(H2O)](n), takes the form of a zigzag chain, with the terephthalate dianion (tp) acting as a tridentate ligand. The Mn-II center is surrounded by two tp ligands, one water molecule and one 2,2'-bipyridine ( bipy) ligand and exhibits a severely distorted octahedral coordination environment, with cis angles ranging from 57.31 (8) to 123.97 (11)degrees. The complete solid-state structure can be described as a three-dimensional supramolecular framework stabilized by hydrogen-bonding interactions involving the coordinated water molecule and the carboxy O atoms of the tp ligands, and by pi-pi stacking interactions involving the bipy rings and the benzene ring of the tp ligand.