N,N'-(bis-(pyridin-2-yl)benzylidene)diethylenetriamine | 503442-15-7

• 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-(pyridin-2-yl)benzylidene)diethylenetriamine
• 英文别名: N,N'-(bis(pyridin-2-yl)benzylidene)diethylenetriamine；N,N'-bis((pyridin-2-yl)benzylidene)diethylenetriamine
• CAS: 503442-15-7
• 化学式: C₂₈H₂₇N₅
• 分子量: 433.556
• InChiKey: ANRSWXTZRKYWSS-QGAFDCBVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.44
• 重原子数：
  33.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  62.53
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N,N'-(bis-(pyridin-2-yl)benzylidene)diethylenetriamine 、 mercury(II) iodide 以 甲醇 为溶剂， 反应 0.25h， 以75%的产率得到[Hg₂(N,N-(bis-(pyridin-2-yl)benzylidene)diethylenetriamine)(I)₄]*H₂O
  参考文献：
  名称：

  含有四齿三脚胺/五齿N供体席夫碱的两种双核碘化汞（II）化合物的合成，结构和性质：通过改变配体矩阵来控制分子和晶体结构

  摘要：

  [[L1）Hg（μ- I）HgI 3 ]（1）和[Hg 2（L2）（I）4 ]· H 2 O（2）[L1 = tris（2-氨基乙基）胺和L2 ＝ N，N ′ -（双-（吡啶-2-基）亚苄基）二亚乙基三胺]已经使用微分析，光谱，热和其他物理化学结果合成和表征。两种化合物的结构均通过X射线衍射测量解决。结构分析表明，一个汞（II）中心1的HgI 4呈扭曲的四面体几何形状发色团被四个碘化物包围，而另一个具有扭曲的三角双锥体环境，HgN 4 I发色团被四个L1原子和一个桥接碘化物束缚。五齿席夫碱（L2）在2示出了不寻常的binucleating双（二齿）行为来结合两个不同的汞（II）中心-HG1与HGN 3 我 2发色团在一个扭曲的四方锥几何形状和汞与HGN 2 我 2发色团在四面体环境。在弱的分子间N-H⋅⋅⋅I氢键1和合作C-H⋅⋅⋅ π和π ⋅⋅⋅ π相互作用2提升维度。Schiff碱配合

  DOI：

  10.1007/s12039-014-0609-9
• 作为产物：
  描述：

  2-苯甲酰吡啶 、 二乙烯三胺 以 乙醇 为溶剂， 以85%的产率得到N,N'-(bis-(pyridin-2-yl)benzylidene)diethylenetriamine
  参考文献：
  名称：

  [Cd(L)(dca)]n(X)n 型七配位一维配位聚合物的合成、结构和发光行为（L=五齿席夫碱；dca=双氰胺；X=, ）

  摘要：

  摘要 [Cd(L)(dca)] n (X) n ( 1 and 2 ) [L = N , N '-(bis-(pyridin-2-yl)benzylidene) 类型的两种七配位一维配位聚合物二亚乙基三胺；dca = 双氰胺；X = ClO 4 - ( 1 ), PF 6 - ( 2 )] 已在微量分析、光谱和其他物理化学性质的基础上制备和表征。1 和 2 的结构通过单晶 X 射线衍射测量得到解决。结构研究表明，在这两种化合物中，每个镉 (II) 中心都采用扭曲的五边形双锥几何形状，其中 CdN 7 发色团由五齿席夫碱的五个 N 原子和单桥 dca 的两个腈 N 原子以 μ 1,5 方式配位。1 中的多核单元参与弱 N–H…O 和 C–H…O 氢键，高氯酸根离子嵌入链中，形成二维片状结构。在长程形式中，2 的一维聚合物链通过 N–H…F 和 C–H…F 氢键与置于链之间的六氟磷酸盐形成 2D

  DOI：

  10.1016/j.molstruc.2009.09.043

文献信息

• Synthesis, structure and properties of hexacoordinated compounds of cadmium(II) halides/pseudohalides containing a pentadentate N-donor Schiff base
  作者：Bhola Nath Sarkar、Somnath Choubey、Kishalay Bhar、Soumi Chattopadhyay、Partha Mitra、Barindra Kumar Ghosh

  DOI：10.1016/j.molstruc.2011.03.039

  日期：2011.5

  Structural analyses reveal that each cadmium(II) center adopts a distorted octahedral geometry bound by five N atoms of L along with terminal halide in 1 – 3 and N atom of terminal pseudohalide in 4 and 5 . Intermolecular N H⋯O, C H⋯O, N H⋯F and C H⋯F hydrogen bondings and C H⋯π interactions as is the case lead to different crystalline aggregates in 1 – 5 . The complexes display intraligand 1 (π π * ) fluorescence

  摘要 [Cd(L)(X)]Y·n MeCN ( 1 – 5 ) [L = N,N'-(双(吡啶-2-基)亚苄基)二亚乙基三胺; Y = PF 6 - ，n = 1；X = Cl - ( 1 ), Br - ( 2 ), I - ( 3 ) 和 Y = PF 6 - , n = 0, X = N 3 - , ( 4) ; Y = ClO 4 - , n = 0, X = NCO - , ( 5 )] 被合成和表征。所有化合物的结构均通过 X 射线衍射测量解析。结构分析表明，每个镉 (II) 中心采用扭曲的八面体几何形状，由 L 的五个 N 原子以及 1 - 3 中的末端卤化物和 4 和 5 中末端拟卤化物的 N 原子结合而成。分子间 NH⋯O、CH⋯O、NH⋯F 和 CH⋯F 氢键和 CH⋯π 相互作用导致 1 - 5 中不同的结晶聚集体。复合物在室温下在 DMF 溶液中显示出配体 1 (π
• Syntheses, structures and magnetic properties of μ1,5-dicyanamide bridged di- and polynuclear manganese(II) complexes containing neutral N-donor Schiff bases: Control of coordination number and nuclearity by varying denticity
  作者：Kishalay Bhar、Sumitava Khan、Sumitra Das、Partha Mitra、Georgina Rosair、Joan Ribas、Barindra Kumar Ghosh

  DOI：10.1016/j.ica.2010.06.021

  日期：2010.10

  Two hexacoordinated dinuclear compounds [Mn(L1)(dca)](2)(ClO4/PF6)(2)center dot CH3OH (1/2) and two heptacoordinated coordination polymers [Mn(L2)(dca)](n)(ClO4/PF6)(n) (3/4) [L1 = N,N'-(bis-(pyridin-2-yl) benzylidene)-1,3- propanediamine; L2 = N,N'-(bis-(pyridin-2-yl) benzylidene) diethylenetriamine; dca = dicyanamide] are synthesized and characterized. Structures of 1-3 have been solved by X-ray diffraction measurements. Each manganese(II) center in 1/2 is located in a distorted octahedral environment with an MnN6 chromophore coordinated by the four N atoms of L1 and two nitrile N atoms of bibridged l1,5 dca. Interestingly, the coordination polymer 3 forms a 1D chain through single Mn-(NCNCN)-Mn units in which each manganese(II) center adopts a pentagonal bipyramidal geometry with an MnN7 chromophore occupied with five N atoms of L2 and two nitrile N atoms of monobridged mu(1,5) dca. Magnetic susceptibility measurements of 1-3 in the 2-300 K temperature range reveal weak antiferromagnetic interactions. (C) 2010 Elsevier B.V. All rights reserved.
• Deoghoria, Soma; Mostafa, Golam; Lu, Tian-Huey, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2004, vol. 43, # 2, p. 329 - 332
  作者：Deoghoria, Soma、Mostafa, Golam、Lu, Tian-Huey、Chandra, Swapan K.

  DOI：——

  日期：——
• Unusual perchlorate binding in heptacoordinated cadmium(II)thiocyanate containing a pentadentate Schiff base
  作者：Sk Hafijur Rahaman、Rajarshi Ghosh、Golam Mostafa、Barindra Kumar Ghosh

  DOI：10.1016/j.inoche.2005.04.014

  日期：2005.8

  A new Schiff base, N,N'-(bis(pyridin-2-yl)benzylidene)diethylenetriamine (bpbd), has been used to synthesise a novel heptacoor dinated cadmium(II)thiocyanate complex [Cd(bpbd)(NCS)(ClO4)] (1) Crystal structure analysis of 1 reveals cadmium(II) centre in a distorted pentagonal bipyramid environment with perchlorate binding, C-H center dot center dot center dot O hydrogen bonding and C-H center dot center dot center dot pi interaction leading to a 2D sheet. 1 displays intraligand (1)(pi-pi*) fluorescence and intraligand (3)(pi-pi*) phosphorescence in glassy solutions (MeOH at 77 K). (C) 2005 Elsevier B.V. All rights reserved.
• Synthesis, crystal structure and magnetic behavior of two new binuclear complexes bridged by a pentadentate ligand: [Ni2L2(NCS)2](ClO4)2 and [Ni2L2(NCO)2](ClO4)2 [L=pentadentate ligand]
  作者：Soma Deoghoria、Sushama Sain、Brian Moulton、Michael J Zaworotko、Sujit K Bera、Swapan K Chandra

  DOI：10.1016/s0277-5387(02)01213-5

  日期：2002.11

  Two new binuclear nickel(II) complexes [Ni2L2(NCS)(2)](ClO4)(2) (1) and [Ni2L2(NCO)(2)](ClO4)(2) (2), where L is a pentadentate Schiff base ligand derived from the reaction of 2 mol of 2-benzoyl pyridine and I mol of diethylene triamine, have been prepared and characterized. The structures of complexes 1 and 2 have been Studied by single crystal X-ray diffraction analysis. The structure analysis reveals that each nickel(II) center is coordinated in a distorted octahedral (NiN6) fashion consisting of three nitrogen atoms from one and two nitrogen atoms from other pentadentate ligand and the last one from terminal thiocyanato/cyanato ion. The variable temperature magnetic susceptibility of both compounds I and 2 have been studied and found a very weak magnetic interaction between two nickel(II) centers consistent with the structures (Ni (. . .) Ni distance of 5.809(1) Angstrom for 1 and 5.695(1) Angstrom for 2 with no suitable bridge or linkage to propagate magnetic interaction), (C) 2002 Elsevier Science Ltd. All rights reserved.