Cu(3-amino-1,2,4-triazole)(pyridine-2,6-dicarboxylate)(H2O)·H2O | 1428765-00-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Cu(3-amino-1,2,4-triazole)(pyridine-2,6-dicarboxylate)(H2O)·H2O
• 英文别名: Cu(3-amino-1,2,4-triazole)(pyridine-2,6-dicarboxylate)(H₂O)·H₂O；Cu(Hatrz)(pda)(H₂O)·H₂O
• CAS: 1428765-00-7
• 化学式: C₉H₉CuN₅O₅*H₂O
• 分子量: 348.762
• InChiKey: OCDLCDNKOGIUCO-UHFFFAOYSA-L

计算性质

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

反应信息

• 作为产物：
  描述：

  吡啶-2,6-二甲酸 、 copper(II) acetate monohydrate 、 3-氨基-1,2,4-三氮唑 以 水 为溶剂， 反应 60.0h， 以39%的产率得到Cu(3-amino-1,2,4-triazole)(pyridine-2,6-dicarboxylate)(H2O)·H2O
  参考文献：
  名称：

  Hydrothermal Synthesis, Crystal Structures, and Characterization of Two Copper Complexes With 3-Amino-1,2,4-Triazole

  摘要：

  Two new complexes, [Cu(Hatz)(pdcam)(H2O)]. (H2O) (1) and [Cu(Hatz))(pdc)H2O](H2O) (2) (Hatz = 3-amino-1,2,4-triazolate, H(2)pdcam = 2,6-pyridine-dicarboxamide, H(2)pdc = 2,6-pyridine-dicarboxylato), were synthesized under hydrothermal conditions and were characterized by elemental analysis, FT-IR spectroscopy, and single-crystal X-ray diffraction. Both crystallize in monoclinic system, space group P2(1)/c with a = 12.9218(13), b = 6.3094(7), c = 16.4110(16) angstrom, = 97.862(2)degrees, and Z = 4 for 1 and space group P 2(1)/c with a = 9.4290(9), b = 18.2847(18), c = 7.2576(7) angstrom, = 101.6180(10)degrees, and Z = 4 for 2. X-ray analysis demonstrates that complexes 1 and 2 are discrete mononuclear species. The both Cu(II) atoms exhibit a tetragonal pyramid coordination, type 4 + 1. In two complexes, the coordination entities are further organized via hydrogen-bonding interactions to generate multifarious supramolecular networks. Thermal stabilities of two complexes were examined by thermogravimetric analysis.

  DOI：

  10.1080/15533174.2013.768657

文献信息

• Two new neutral copper(II) complexes with dipicolinic acid and 3-amino-1H-1,2,4-triazole formed under different reaction conditions: Synthesis, characterization, molecular structures and DNA-binding studies
  作者：Masoumeh Tabatabaee、Maryam Bordbar、Mitra Ghassemzadeh、Mozhgan Tahriri、Marjan Tahrir、Zohreh Mehri Lighvan、Bernhard Neumüller

  DOI：10.1016/j.ejmech.2013.10.009

  日期：2013.12

  (2), with pyridine-2,6-dicarboxylic acid (H2pydc) and 3-amino-1H-1,2,4-triazole (atr), have been synthesized and characterized. The interaction ability of the both complexes with native calf thymus DNA (CT-DNA) has been monitored as a function of the metal complex-DNA molar ratio. UV–vis spectrophotometry, circular dichroism (CD), thermal denaturation studies, cyclic voltammetry (CV) and viscosity

  两种Cu（II）配合物，[Cu 2（μ-atr）（pydc）2（H 2 O）4 ]·5H 2 O（1）和[Cu（atr）（pydc）（H 2 O）]·H已经合成并表征了具有吡啶-2,6-二羧酸（H 2 pydc）和3-氨基-1 H -1,2,4-三唑（atr）的2 O（2）。两种配合物与天然小牛胸腺DNA（CT-DNA）的相互作用能力已作为金属配合物-DNA摩尔比的函数进行了监测。紫外可见分光光度法，圆二色性（CD），热变性研究，循环伏安法（CV）和粘度测量。本征结合常数K配合物1和2的b值，以及通过UV-vis吸收研究获得的CT-DNA分别为4.7（±0.1）×10 4和9.5（±0.1）×10 4  M -1。使用粘度，循环伏安法和CT-DNA研究以及CD研究的T m进行了相互作用模式的进一步研究，表明复合物通过插入模式与DNA结合。
• 0D Cu(II) and 1D mixed-valence Cu(I)/Cu(II) coordination compounds based on mixed ligands: Syntheses, structures and catalytic thermal decomposition for HMX
  作者：Jingping Wei、Dan Zhang、Qi Yang、Sanping Chen、Shengli Gao

  DOI：10.1016/j.inoche.2013.01.006

  日期：2013.4

  Two new mixed-ligands coordination compounds Cu(Hatrz)(pda)(H2O)center dot H2O (1) and Cu(I)Cu(II)(atrz)(pda)(H2O) (2) (Hatrz=3-amino-1,2,4-triazole, H(2)pda=pyridine-2,6-dicarboxylic acid) have been synthesized and characterized by elemental analyses, IR, XPS, single crystal X-ray diffraction and thermogravimetric analyses. Crystal structures reveal that 1 presents a zero-dimensional unit, while 2 exhibits a one-dimensional structure constructed by mixed-valence helical chain. Furthermore, the catalytic performance of compounds for the thermal decomposition of HMX (Octahydro-1,3,5;7-tetranitro-1,3,5,7-tetrazocine) was investigated by DSC (C) 2013 Elsevier B.V. All rights reserved.