N,N'-bis(2-pyridinecarboxamido)-1,4-butane | 190955-38-5

• 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,N'-bis(2-pyridinecarboxamido)-1,4-butane
• 英文别名: 1,4-bis(pyridine-2-carboxamido)butane；N-[4-(pyridine-2-carbonylamino)butyl]pyridine-2-carboxamide
• CAS: 190955-38-5
• 化学式: C₁₆H₁₈N₄O₂
• 分子量: 298.345
• InChiKey: QHRWDSFACBEQNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  84
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N'-bis(2-pyridinecarboxamido)-1,4-butane 、 cobalt(II) chloride hexahydrate 以 乙腈 为溶剂， 以76%的产率得到[Co(N,N'-bis(2-pyridinecarboxamido)-1,4-butane)Cl2]
  参考文献：
  名称：

  Coordination polymers of manganese(II) and cobalt(II) of a flexible tetradentate pyridine amide ligand: 1D zigzag network and non-covalent interactions

  摘要：

  Synthesis and crystal structure of two coordination polymers of composition [Mn-II(H(2)bpbn)(1.5)][ClO4](2) center dot 2MeOH center dot 2H(2)O (1) and [Co-II(H(2)bpbn)(H2O)(2)]Cl-2 center dot H2O (2) [H(2)bpbn = N,N'-bis(2-pyridinecarboxamido)-1,4-butane], formed from the reaction between [Mn(H2O)(6)][ClO4](2)/CoCl2 center dot 4H(2)O with H(2)bpbn in MeCN, are described. In 1 each Mn-II ion is surrounded by three pyridine amide units, providing three pyridine nitrogen and three amide oxygen donors. Each Mn-II center in 1 has distorted MnN3O3 coordination. In 2 each Co-II ion is coordinated by two pyridine amide moieties in the equatorial plane and two water molecules provide coordination in the axial positions. Thus, the metal center in 2 has trans-octahedral geometry. In both 1 and 2, the existence of 1D zigzag network structure has been revealed. Owing to pi-pi stacking of pyridine rings from adjacent layers 1 forms 2D network; 2 forms 2D and 3D network assemblies via N-H center dot center dot center dot Cl and O-H center dot center dot center dot Cl secondary interactions. Both the metal centers are high-spin. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.08.006

文献信息

• Spectroscopic characterization of coaxially and π—π stacked binuclear copper(II) complexes of ω,ω′-bis(pyridine-2-carboxamido)alkanes in acidic solution
  作者：Yuji Kajikawa、Nagao Azuma、Kunihiko Tajima

  DOI：10.1016/s0020-1693(98)00315-6

  日期：1998.12

  Although H2ppda gave crystals of a binuclear complex with many lattice water molecules, H2peda and H2pbda ligands provided crystals of copper(II) polymer complexes from the respective acidic solution. The trans-H2pcyhda ligand forms a copper(II) binuclear complex with open-chain structure in acidic solution. Crystal structures of the polymer complexes are also presented.

  利用电子自旋共振（ESR）和可见光谱，在酸性水溶液（pH 3.8–5.0）和H 2 peda（烷烃）中同轴堆叠ω，ω′-双（吡啶-2-甲酰胺基）烷烃的双核铜（II）配合物表征乙烷，H 2 ppda（烷烃=丙烷）和H 2 ppda（烷烃=丁烷）。反式-1,2-双（吡啶-2-甲酰胺基）环己烷或反式-H 2吡啶（烷=反式-1,2-环己烷）不提供同轴堆叠的双核复合物，因为HNCH-的构象自由度较低CHNH键。同轴堆叠的结构导致吡啶基环之间的π-π堆叠。丙烷二基链的构象是gauche-gauche，而乙二基和丁二基链含有黯淡的构象。在酸性溶液中形成这些双核配合物的驱动力是吡啶基环之间的分子内π-π堆积相互作用与疏水相互作用。尽管H 2 ppda给出了具有许多晶格水分子的双核络合物晶体，但H 2 peda和H 2 pbda配体从相应的酸性溶液中提供了铜（II）聚合物络合物晶体。所述反式-H 2 pcy
• Extended Networks Generated from the Interaction of Rare‐Earth(III) Ions and Pyridine‐2‐carboxamide‐Based Ligands
  作者：Maarten G. van der Horst、Gerard A. van Albada、Rodica‐Mariana Ion、Ilpo Mutikainen、Urho Turpeinen、Stefania Tanase、Jan Reedijk

  DOI：10.1002/ejic.200800031

  日期：2008.5

  architecture with the rare-earth ion in an eight-coordination geometry. By exposure to air, the lattice methanol molecules are easily replaced by water molecules to form the analogues [RE(L)1.5Cl2(CH3OH)]Cl·4H2O (RE = Pr 1, Nd 2a, Eu 3a, Tb 4) as indicated by elemental analysis, IR, and thermogravimetric analysis. Photophysical studies on the EuIII and TbIII complexes showed that excitation into the ligand-centered

  配体 1,4-双(吡啶-2-甲酰胺基)丁烷 (L) 与 RECl3 反应得到通式 [RE(L)1.5Cl2(CH3OH)]Cl·nS (RE = Pr, Nd, Eu , Tb; n = 4, S = H2O; n = 5, S = CH3OH)。结构测定表明配合物[RE(L)1.5Cl2(CH3OH)]Cl·5CH3OH (RE = Nd 2b, Eu 3b)是同晶型的，在单斜晶系中结晶，空间群为P21/n；它们具有 2D 结构，其中稀土离子呈八配位几何。通过暴露在空气中，晶格甲醇分子很容易被水分子取代，形成类似物 [RE(L)1.5Cl2(CH3OH)]Cl·4H2O (RE = Pr 1, Nd 2a, Eu 3a, Tb 4)，如图所示通过元素分析、红外和热重分析。EuIII 和 TbIII 复合物的光物理研究表明，激发到以配体为中心的 π→π* 跃迁会导致 EuIII 在 614
• Coordination polymers of manganese(II) and cobalt(II) of a flexible tetradentate pyridine amide ligand: 1D zigzag network and non-covalent interactions
  作者：Wilson Jacob、Rabindranath Mukherjee

  DOI：10.1016/j.ica.2007.08.006

  日期：2008.4

  Synthesis and crystal structure of two coordination polymers of composition [Mn-II(H(2)bpbn)(1.5)][ClO4](2) center dot 2MeOH center dot 2H(2)O (1) and [Co-II(H(2)bpbn)(H2O)(2)]Cl-2 center dot H2O (2) [H(2)bpbn = N,N'-bis(2-pyridinecarboxamido)-1,4-butane], formed from the reaction between [Mn(H2O)(6)][ClO4](2)/CoCl2 center dot 4H(2)O with H(2)bpbn in MeCN, are described. In 1 each Mn-II ion is surrounded by three pyridine amide units, providing three pyridine nitrogen and three amide oxygen donors. Each Mn-II center in 1 has distorted MnN3O3 coordination. In 2 each Co-II ion is coordinated by two pyridine amide moieties in the equatorial plane and two water molecules provide coordination in the axial positions. Thus, the metal center in 2 has trans-octahedral geometry. In both 1 and 2, the existence of 1D zigzag network structure has been revealed. Owing to pi-pi stacking of pyridine rings from adjacent layers 1 forms 2D network; 2 forms 2D and 3D network assemblies via N-H center dot center dot center dot Cl and O-H center dot center dot center dot Cl secondary interactions. Both the metal centers are high-spin. (C) 2007 Elsevier B.V. All rights reserved.