tris(5,5'-diamino-2,2'-bipyridine)iron(II) sulfate | 521958-43-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: tris(5,5'-diamino-2,2'-bipyridine)iron(II) sulfate
• 英文别名: Tris(5,5'-diamino-2,2'-bipyridine)eisen(II)-Sulfate；[Fe(5,5'-diamino-2,2'-bipyridine)3]SO4；[Fe(DABP)3]SO4；6-(5-aminopyridin-2-yl)pyridin-3-amine;iron(2+);sulfate
• CAS: 521958-43-0
• 化学式: C₃₀H₃₀FeN₁₂*O₄S
• 分子量: 710.559
• InChiKey: PEPZYDSOLCJBKM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  tris(5,5'-diamino-2,2'-bipyridine)iron(II) sulfate 、 disodium terephthalate 以 水 为溶剂， 以59%的产率得到tris(5,5'-diamino-2,2'-bipyridine)iron(II) benzene-1,4-dicarboxylate pentahydrate
  参考文献：
  名称：

  Tris (5, 5'-diamino-2, 2'-bipyridine) 铁配合物与芳烃-羧酸盐配体通过 NH ...... O 氢键的二球配位

  摘要：

  三 (5, 5'-二氨基-2, 2'-联吡啶) 铁 (II) 配合物 [Fe (DABP) 3] 2+ 可以参与从氨基到含羧酸盐分子的氢键相互作用，如 H - 债券承兑人。此处通过使用苯-1, 4-二羧酸酯（对苯二甲酸酯，L1）、苯-1, 3-二羧酸酯（间苯二甲酸酯，L2）、联苯-2, 2'-来研究金属络合物的这种所谓的第二球配位二羧酸根 (L3) 和苯-1, 3, 5-三羧酸根 (trimesate, L4) 阴离子用于 NH ... O 键合。[Fe (DABP) 3] 2+ 的第二球配位进一步由 [Fe (DABP) 3] (L1) · 5H2O, [Fe (DABP) 3 的分离和结构阐明的化合物中的结晶水分子补充] (L2) • 8H2O、[Fe (DABP) 3] (L3) • 12.5H2O 和 [Fe (DABP) 3] 3 (L4) 2 • 20H2O。[Fe (DABP)

  DOI：

  10.1002/zaac.200400175
• 作为产物：
  描述：

  [tris(5,5'-diamino-2,2'-bipyridine)iron(II)] sulfate hexahydrate 以 neat (no solvent, solid phase) 为溶剂， 生成 tris(5,5'-diamino-2,2'-bipyridine)iron(II) sulfate
  参考文献：
  名称：

  改性联吡啶：5,5'-二氨基-2,2'-联吡啶金属配合物通过氢键和π-π堆积相互作用组装成多维网络

  摘要：

  用于合成 5,59-二氨基-2,2-NMR 的新合成路线，包括 113 Cd-NMR、IR 和铁配合物 57 Fe-Mosbauer 光谱。通过X射线晶体学阐明了化合物中8个基于2-氯-5氨基吡啶在NiCl2×6H 2O/PPh3/Zn存在下偶联的联吡啶(5)的结构。所有这些金属配合物都表明描述了联吡啶-金属二甲基甲酰胺。潜在双齿配体 5 与过渡配位盐的反应。氨基官能团从未参与金属配位。分子间排列是金属 Mn、Fe、Ni、Cu、Zn、Ag 和 Cd，根据阴离子的不同，产生了各种 13 种金属配体配合物，这是由氨基官能团的氢键和 ﷿-﷿ 堆叠决定的联吡啶环。结晶条件和金属配体比。获得的配合物通过热分析表征，

  DOI：

  10.1002/(sici)1099-0682(199909)1999:9<1507::aid-ejic1507>3.0.co;2-i

文献信息

• Full- or Half-Encapsulation of Sulfate Anion by a Tris(3-pyridylurea) Receptor: Effect of the Secondary Coordination Sphere
  作者：Fuyu Zhuge、Biao Wu、Jianjun Liang、Jin Yang、Yanyan Liu、Chuandong Jia、Christoph Janiak、Ning Tang、Xiao-Juan Yang

  DOI：10.1021/ic9012685

  日期：2009.11.2

  Self-assembly of the [Fe(DABP)(3)]SO4 (DABP = 5,5'-diamino-2,2'-bipyridine) or [Fe(biPy)(3)]SO4 (bipy = 2,2'-bipyridine) complex with a tripodal tris(3-pyridylurea) ligand (L) results in a layered structure that includes a sulfate anion in the cleft of one L molecule. The two compounds, [Fe(DABP)(3)[SO4 subset of L]center dot 10H(2)O (2) and [Fe(biPy)(3)[SO4 subset of L]center dot 9H(2)O.(3), show very similar sheets formed by the anionic units [SO4 subset of L](2-) and cationic building blocks ([Fe(DABP)(3)](2+) or [Fe(bipy)(3)](2+)). However, there are different water clusters that link the adjacent layers in the two products, that is, water parallelograms and quasi "water cubes" in 2 versus single water molecules, water dimers, and hexamers in 3. The half-encapsulation of sulfate by a single L molecule contrasts with the previously reported full-encapsulation of the sulfate ion by two L molecules in [M(H2O)(6)][SO4 subset of L-2] (1). This different anion encapsulation is traced to the hydrogen-acceptor properties of the pyridyl groups of L together with the hydrogen-bonding properties of the cation secondary coordination sphere for a solid-state packing optimization. In 1 the direct hydrogen bonding from the secondary coordination sphere of octahedral [M(H2O)(6)](2+) to L-pyridyl helps in the formation of an octahedral cation-anion coordination in the NaCl-type structure. In 2 and 3, crystal water instead of the cations has to satisfy the hydrogen-accepting demands of L. Consequently, a non-spherical and only partly water-surrounded half-encapsulated [SO4 subset of L](2-) anion allows for a closer approach of the [Fe(DAB)(3)](2+) or [Fe(bipy)(3)](2+) cations than the [SO4 subset of L-2](2-) anion. Then, the similar cation and anion size in 2 and 3 with the Coulomb attraction confined to a two-dimensional plane leads to the formation of a hexagonal BN (or graphite) lattice. Competition experiments with different anions for compound 2 reveal that SO42- can be selectively crystallized against NO3-, OAc-., or ClO4-.
• Second-sphere coordination of 5,5′-diamino-2,2′-bipyridine metal complexes with oxygen ligands through NH⋯O hydrogen bonding
  作者：Xiao-Juan Yang、Biao Wu、Wen-Hua Sun、Christoph Janiak

  DOI：10.1016/s0020-1693(02)01258-6

  日期：2003.1

  Tris(5,5'-diamino-2,2'-bipyridine)metal complexes, [M(DABP)(3)](2+) with M = nickel(II), zinc(II) or iron(II) can be engaged in hydrogen-bonding interactions from the amino groups to oxygen-containing molecules as H-bond acceptors. This so-called second-sphere coordination of the metal complexes is investigated here by using 18-crown-6 (18-C-6) and the 1,3,5-benzene-tricarboxylate (BTC) anion for N-(HO)-O-... bonding. Single-crystal X-ray structural studies show that [Ni(DABP)(3)](2+) or [Zn(DABP)(3)](2+) and 18-C-6 form strands of alternating [M(DABP)3]2+ and 18-C-6 units with only two out of six amino groups getting involved in weak (NHO)-O-... bonding. The remaining NH2 groups are hydrogen bonded to the chloride and nitrate anion, respectively, and solvent molecules of crystallization. The anionic BTC hydrogen-bond acceptor, however, is capable of capping the triangular face formed by the three amino groups in [M(DABP)(3)](2+). In [Fe(DABP)(3)] (BTC)(2)}(4-) the capping occurs by two BTC units from both sides, i.e. for both triangular faces and engages all six NH2 groups of the metal complex. Charge compensation is provided by two hydrated [Fe(DABP)(3)](.)aq}(2+) complexes per formula unit. (C) 2002 Elsevier Science B.V. All rights reserved.