N-[[amino(pyrazin-2-yl)methylidene]amino]pyridine-2-carboxamide | 252652-17-8

• 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: N-[[amino(pyrazin-2-yl)methylidene]amino]pyridine-2-carboxamide
• CAS: 252652-17-8
• 化学式: C₁₁H₁₀N₆O
• 分子量: 242.24
• InChiKey: WGUGYMOMBHPGQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  cobalt(II) nitrate hexahydrate 、 N-[[amino(pyrazin-2-yl)methylidene]amino]pyridine-2-carboxamide 以 水 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  一系列自组装多核Mn（II），Co（II）和Cu（II）簇配合物的合成，结构和磁性

  摘要：

  Mn（II），Co（II），Co（II）/ Co（III）和Cu（II）以及一组烷氧基的一系列自组装簇络合物的单晶结构和磁性据报道具有方形和矩形一级结构的二嗪配体。在一种新颖的情况下，由于存在空的核外配位位点，可以在方形核上建立金属离子的二级配位球。[Mn 4（poapz-H）4（H 2 O）4 ]（NO 3）4 ·H 2 O（1）; 单斜，C 2 / c，a = 21.7120（4）Å，b = 17.421（4）Å，c = 17.273（4）Å，β= 109.34（3）°。[Co 4（poap-H）2（poap-2H）2 ]（NO 3）4 ·7H 2 O（3）; 三斜晶，P，a = 9.6855（6）Å，b = 12.9462（7）Å，c = 13.7383（8）Å，α = 106.5730（10），β = 99.0400（10）Å，γ = 95.737（10）° 。[Co 4（poapz-H）4（H

  DOI：

  10.1006/jssc.2001.9160
• 作为产物：
  描述：

  吡嗪-2-甲亚胺酸甲酯 、 2-吡啶甲酰肼 生成 N-[[amino(pyrazin-2-yl)methylidene]amino]pyridine-2-carboxamide
  参考文献：
  名称：

  Ranft; Lehwark-Yvetot; Schaper, Pharmazie, 2001, vol. 56, # 3, p. 266 - 266

  摘要：

  DOI：

文献信息

• Polynuclear Fe_<i>n</i>Complexes (<i>n</i>= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations
  作者：Muhammad U. Anwar、Konstantin V. Shuvaev、Louise N. Dawe、Laurence K. Thompson

  DOI：10.1021/ic201891h

  日期：2011.12.5

  examples of mononuclear, dinuclear, tetranuclear, and pentanuclear complexes have been observed within a related class of ligands. In addition, ligand site donor composition can lead to coordination spheres that stabilize both high spin Fe(II) and Fe(III) sites, with evidence for Fe(II) spin crossover. Structural and magnetic properties are examined, which reveal the presence of antiferromagnetic exchange

  检查了一些基于poly的配体的铁配位化学。配合物源自一般的自组装策略，其中配体设计可用于设计特定的多金属[ n × n]网格架构。然而，作为任何复杂平衡过程的一部分，低聚实体也可能发生，特别是在考虑配体互变异构柔性时，并且在相关配体类别中观察到了单核，双核，四核和五核配合物的实例。另外，配体位点供体的组成可导致配位球稳定高自旋Fe（II）和Fe（III）位，并有Fe（II）自旋交叉的证据。检查了结构和磁性，揭示了多核系统中反铁磁交换的存在。
• Tetranuclear Copper(II) and Nickel(II) Cluster Complexes Derived by Self-Assembly from a Series of Tetradentate Diazine Ligands:  Structural and Magnetic Studies
  作者：Craig J. Matthews、Karen Avery、Zhiqiang Xu、Laurence K. Thompson、Liang Zhao、David O. Miller、Kumar Biradha、Karen Poirier、Michael J. Zaworotko、Claire Wilson、Andrés E. Goeta、Judith A. K. Howard

  DOI：10.1021/ic990598f

  日期：1999.11.1

  A series of tetranuclear copper(II) and nickel(II) complexes is described, all of which form by a strict self-assembly process involving just a single ligand and the metal salt. The ligands POAP, POAPZ, PZOAP, and 6POAP contain terminal pyridine and pyrazine residues bound to a central flexible diazine subunit (N-N) and contain two potentially bridging groups (alkoxo and diazine). in all cases but one the metals are linked by alkoxo oxygens alone, forming essentially square [M-4(mu(2)-O)(4)] clusters. A rectangular copper(II) complex [Cu-4(mu(2)-N-2)(2)- (mu(2)-O)(2)] involves a mixture of two alkoxo and two diazine bridges. The square Cu4O4 clusters exhibit ferromagnetic coupling between the metal centers, associated with the orthogonal arrangement of magnetic orbitals, while for the Ni4O4 clusters the nickel(II) centers are coupled antiferromagnetically. The [Cu-4(mu(2)-N-2)(2)(mu(2)-O)(2)] cluster exhibits strong antiferromagnetic coupling through a trans Cu(N-N)Cu bridging arrangement, typical for systems of this sort. X-ray structures are reported for [Cu-4 (POAP-H)(4)(H2O)(2)](NO3)(4).4H(2)O (2), [Cu-4(POAPZ-H)(4)(H2O)](NO3)(4). 3H(2)O (3), [Cu-4(6POAP-H)(4)](ClO4)(4) (4), [Cu-4(PZOAP-H)(4)](NO3)(4).3H(2)O (5), [Ni-4(POAP-H)(4) (H2O)(4)](NO3)(4).8H(2)O (6), and [Ni-4(PZOAP-H)(4)(H2O)4](ClO)(4))(4).5H(2)O (9). 2 crystallized in the monoclinic system, space group C2/c, with a = 20.479(3) Angstrom, b = 14.920(2) Angstrom, c = 19.671(3) Angstrom, beta = 90.591(4)degrees, and Z = 8.3 crystallized in the monoclinic system, space group P2(1)/c, with a 14.12(1) Angstrom, b = 14.116(3) Angstrom, c = 29.013(4) Angstrom, beta = 93.50(3)degrees, and Z = 4.4 crystallized in the monoclinic system, space group C2/c, with a = 22.646(4) Angstrom, b = 25.847,(5) Angstrom, c 12.349(5) Angstrom, beta = 110.34(2)degrees, and Z = 4.5 crystallized in the monoclinic system, space group P2/n, with a = 14.3573(4) Angstrom, b = 10.8910(6) Angstrom, c 20.5360(10) Angstrom, beta = 96.975(4)degrees, and Z = 4.6 crystallized in the triclinic system, space group P (1) over bar, with a = 12.0509(6) Angstrom, b = 12.7498(6) Angstrom, c = 23.1208 Angstrom, alpha = 93.1050(10)degrees, beta = 100.1500(10)degrees, gamma = 108.5050(11)degrees, and Z = 2.9 crystallized in the orthorhombic system, space group Pbcn, with a = 14.368(4) Angstrom, b = 25.369(7) Angstrom, c = 18.479(5) Angstrom, and Z = 4.
• Ranft; Lehwark-Yvetot; Schaper, Pharmazie, 2001, vol. 56, # 3, p. 266 - 266
  作者：Ranft、Lehwark-Yvetot、Schaper、Buege

  DOI：——

  日期：——
• Synthesis, Structure, and Magnetism of a Series of Self-Assembled Polynuclear Mn(II), Co(II), and Cu(II) Cluster Complexes
  作者：Laurence K. Thompson、Craig J. Matthews、Liang Zhao、Zhiqiang Xu、David O. Miller、Claire Wilson、Michael A. Leech、Judith A.K. Howard、Sarah L. Heath、A.Gavin Whittaker、Richard E.P. Winpenny

  DOI：10.1006/jssc.2001.9160

  日期：2001.7

  monoclinic, C2/c, a=21.7120(4) Å, b=17.421(4) Å, c=17.273(4) Å, β=109.34(3)°. [Co4(poap-H)2(poap-2H)2](NO3)4·7H2O (3); triclinic, P, a=9.6855(6) Å, b=12.9462(7) Å, c=13.7383(8) Å, α=106.5730(10), β=99.0400(10) Å, γ=95.737(10)°. [Co4(poapz-H)4(H2O)4](NO3)4·2H2O (4); monoclinic, C2/c, a=21.160(2) Å, 17.808(2) Å, c=17.000(2) Å, β=106.904(9)°. [Co4(pzoapz-H)4(H2O)4](ClO4)4·3H2O (5); monoclinic, P21/a, a=23.24(1)

  Mn（II），Co（II），Co（II）/ Co（III）和Cu（II）以及一组烷氧基的一系列自组装簇络合物的单晶结构和磁性据报道具有方形和矩形一级结构的二嗪配体。在一种新颖的情况下，由于存在空的核外配位位点，可以在方形核上建立金属离子的二级配位球。[Mn 4（poapz-H）4（H 2 O）4 ]（NO 3）4 ·H 2 O（1）; 单斜，C 2 / c，a = 21.7120（4）Å，b = 17.421（4）Å，c = 17.273（4）Å，β= 109.34（3）°。[Co 4（poap-H）2（poap-2H）2 ]（NO 3）4 ·7H 2 O（3）; 三斜晶，P，a = 9.6855（6）Å，b = 12.9462（7）Å，c = 13.7383（8）Å，α = 106.5730（10），β = 99.0400（10）Å，γ = 95.737（10）° 。[Co 4（poapz-H）4（H