| 1451591-55-1

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• CAS: 1451591-55-1
• 化学式: Br*C₅H₅N₃O₂*Cu
• 分子量: 282.564
• InChiKey: VSLVDZRKPHXISP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.43
• 重原子数：
  12.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.05
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-氨基-5-硝基吡啶 、 copper(ll) bromide 以 乙醇 、 水 为溶剂， 以91.9%的产率得到
  参考文献：
  名称：

  Halo and Pseudohalo Cu(I)-Pyridinato Double Chains with Tunable Physical Properties

  摘要：

  The properties recently reported on the Cu(I)-iodide pyrimidine nonporous 1D-coordination polymer [CuI(ANP)](n) (ANP = 2-amino-5-nitropyridine) showing reversible physically and chemically driven electrical response have prompted us to carry a comparative study with the series of [CuX(ANP)](n) (X = Cl (1), X = Br (2), X = CN (4), and X = SCN (5)) in order to understand the potential influence of the halide and pseudohalide bridging ligands on the physical properties and their electrical response to vapors of these materials. The structural characterization of the series shows a common feature, the presence of -X- Cu(ANP) X = Cl, Br, I, SCN) double chain structure. Complex [Cu(ANP)(CN)](n) (4) presents a helical single chain. Additionally, the chains show supramolecular interlinked interactions via hydrogen bonding giving rise to the formation of extended networks. Their luminescent and electrical properties have been studied. The results obtained have been correlated with structural changes. Furthermore, the experimental and theoretical results have been compared using the density functional theory (DFT). The electrical response of the materials has been evaluated in the presence of vapors of diethyl ether, dimethyl methylphosphonate (DM.MP), CH2Cl2, HAcO, MeOH, and EtOH, to build up simple prototype devices for gas detectors. Selectivity toward gases consisting of molecules with H-bonding donor or acceptor groups is clearly observed. This selective molecular recognition is likely due to the 2-amino-5-nitropyridine terminal ligand.

  DOI：

  10.1021/acs.inorgchem.5b01754

文献信息

• A New 1-D Cu(I) Pyridinate Complex [CuBr(anp)]<i> _n </i> (anp = 2-amino-5-nitropyridine)
  作者：Wei-Wei Zhou、Wang Zhao、Xing Zhao、Feng-Wu Wang、Bo Wei

  DOI：10.1080/15533174.2012.756899

  日期：2013.10.21

  The title complex, [CuBr(anp)] (n) (1)(anp=2-amino-5-nitropyri dine), was synthesized from a solvothermal reaction of anp with CuBr center dot 4H(2)O, and characterized by single-crystal X-ray diffraction analysis. Complex 1 crystallizes in monoclinic space group P2(1)/c with a = 3.853(6) angstrom, b = 7.368(11) angstrom, c = 29.04(4) angstrom, and = 93.19(2)degrees. The structure of 1 shows a 1-D stair-like chain, which is formed by the interconnection of -[Cu2Br2]- step-like units and monodentate anp ligands. Weak hydrogen bonds between amino groups and NO2 groups from neighboring chains assemble chains to form a supra-layer along the ab plane. Supplemental materials are available for this article. Go to the publisher's online edition of Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry to view the supplemental file.