N,N'-bis(5-ethyl-1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide | 352701-29-2

• 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(5-ethyl-1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide
• 英文别名: 2,6-di(N,N'-5-ethyl-1,3,4-thiadiazole-2-formamide)-pyridine；2,6-di(N,N'-5-ethyl-1,3,4-thiadiazole-2-formamide)pyridine；2-N,6-N-bis(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide
• CAS: 352701-29-2
• 化学式: C₁₅H₁₅N₇O₂S₂
• mdl: MFCD01834676
• 分子量: 389.462
• InChiKey: OYFMNTJVLCVUTF-UHFFFAOYSA-N

物化性质

• 熔点：
  309-310 °C(Solv: ethanol (64-17-5))
• 密度：
  1.510±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  179
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N,N'-bis(5-ethyl-1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide 、 lead(II) acetate trihydrate 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 以40%的产率得到Pb2(2,6-di(N,N'-5-ethyl-1,3,4-thiadiazole-2-formamide)pyridine(2-))2(H2O)2
  参考文献：
  名称：

  新型双核铅（II）配合物的合成，结构和热分解动力学

  摘要：

  已经合成了新的铅络合物[Pb 2（H 2 O）2（L）2 ]。标题配合物的结构单元包含一个对称中心，其中配位体通过使用吡啶N原子，两个酰基酰胺N原子和酰基酰胺O原子配位至Pb（II）原子，从而采用四齿配位模式。氢键和π-π堆积相互作用广泛存在于晶体中，并将​​每个单元连接起来形成二维网络。热分解动力学分析表明，主要分解的机构是一个双步骤下面的反应，甲→ FN乙→ FN Ç，还获得该过程的动力学参数。

  DOI：

  10.1080/15533170802683206

文献信息

• Crystal Structure, Thermal Behavior, and Non-Isothermal Kinetics of a New Dinuclear Ni(II) Complex
  作者：Xiao-Qing Shen、Zhong-Jun Li、Hong-Yun Zhang、Xiao-Na Fan

  DOI：10.1080/15533174.2010.492553

  日期：2010.7.19

  crystals of a new complex, [Ni 2 (μ-H 2 O) (CH 3 OH) 2 (L) 2 ]H 2 OCH 3 OH (1), of metal Ni(II) atoms were obtained by using a new ligand, 2,6-di(N,N′-5-ethyl-1,3,4-thiadiazole-2-formamide)-pyridine (H2L). Complex 1 is a dinuclear one containing a triangle frame formed by two metal Ni(II) with a bridging H 2 O, in which H 2 L coordinates two metal centers as a tetra-dentate ligand. Thermal analysis shows

  通过使用新的金属获得了新的金属Ni（II）原子的络合物[Ni 2（μ- H 2 O）（CH 3 OH）2（L）2 ] H 2 OCH 3 OH（1）的单晶。配体2,6-二（N，N'-5-乙基-1,3,4-噻二唑-2-甲酰胺）-吡啶（H 2 L）。配合物1是双核化合物，其包含由具有桥接H 2 O的两种金属Ni（II）形成的三角形框架，其中H 2 L协调两个金属中心作为四齿配体。热分析表明，配合物1的分解可分为两个过渡，非等温动力学研究表明，配合物1的热分解模式是反应后的双步反应，
• Structures, magnetic and thermal properties of polynuclear complexes built by pyridine-2,6-dicarboxylic acid-based multi-dentate ligand
  作者：Xiao-Qing Shen、Zhong-Jun Li、Zi-Feng Li、Rui Yang、Hong-Yun Zhang

  DOI：10.1016/j.ica.2009.05.052

  日期：2009.8

  By the reactions of a new ligand, 2,6-di(N,N'-5-ethyl-1,3,4-thia-diazole-2-formamide)pyridine (H2L), with Mn(II) and Cu(II) ions, two complexes namely [Mn-3(mu(3)-O)(H2L)(L)(2)]center dot 2DMF (1) and [Cu-2(mu-H2O)(L)(2)]center dot DMF (2) were obtained, respectively. Compound 1 is a trinuclear complex containing triangle frames formed by three Mn(II) ions with a bridged mu(3)-O in the center; ligand H2L acts as a penta-dentate fashion. Compound 2 is a dinuclear complex, in which H2L coordinates two Cu(II) centers as a tetra-dentate coordination mode. Magnetic investigations show that an antiferromagnetic coupling between metal ions exists in 1, and a ferromagnetic coupling exists in 2. Thermal decomposition kinetic parameters of complex 1 are also obtained by employing non-isothermal (model-free) method. (C) 2009 Elsevier B. V. All rights reserved.
• Synthesis, structure and thermal properties of polynuclear complexes with a new multidentate ligand, N,N′-bis(5-ethyl-1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide
  作者：Xiao-Qing Shen、Hong-Chang Yao、Rui Yang、Zhong-Jun Li、Hong-Yun Zhang、Ben-Lai Wu、Hong-Wei Hou

  DOI：10.1016/j.poly.2007.09.015

  日期：2008.1

  Based on N,N'-bis(5-ethyl-1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide (H2L) and inorganic Zn-II and Cd-II salts, three polynuclear complexes [Zn-6(mu(4)-O)(2)(L)(4)] (1), [Zn-3(mu(3)-O)(2)(L)(2)(H2L)] (2) and [Cd-5(mu(3)-O)(2)(L)(3)(H2L)(CH3OH)(DMF)] (3) have been prepared and their crystal structures have been determined by single-crystal X-ray analysis. The thermal behaviors of these complexes in nitrogen and the thermal decomposition kinetics of complex 2 in the temperature range 350-540 degrees C have been studied, and kinetic parameters were also obtained. Kinetic results show that the decomposition of complex 2 is double-step reaction: a 1st-order reaction (F1) is followed by an nth-order reaction (Fn). (C) 2007 Published by Elsevier Ltd.
• Synthesis, Structure and Thermal Decomposition Kinetics of a New Binuclear Lead(II) Complex
  作者：Xiao-Qing Shen、Min Xu、Huai-Xia Yang、Hong-Yun Zhang、Ying-Xia Zhou

  DOI：10.1080/15533170802683206

  日期：2009.3.4

  A new lead complex [Pb 2 (H 2 O) 2 (L) 2 ] has been synthesized. The structural unit of title complex contains a symmetric center in which the ligand takes a tetra-dental coordination mode by using a pyridine N atom, two acylamide N atoms and a acylamide O atom to coordinate to Pb(II) atom. Hydrogen bonds and π-π stacking interactions exist widely in the crystal, and connect each unit to form a 2-D

  已经合成了新的铅络合物[Pb 2（H 2 O）2（L）2 ]。标题配合物的结构单元包含一个对称中心，其中配位体通过使用吡啶N原子，两个酰基酰胺N原子和酰基酰胺O原子配位至Pb（II）原子，从而采用四齿配位模式。氢键和π-π堆积相互作用广泛存在于晶体中，并将​​每个单元连接起来形成二维网络。热分解动力学分析表明，主要分解的机构是一个双步骤下面的反应，甲→ FN乙→ FN Ç，还获得该过程的动力学参数。