N3-(3-pyrazolyl)-2-pyrazinecarboxamidrazone | 1007838-23-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N3-(3-pyrazolyl)-2-pyrazinecarboxamidrazone
• 英文别名: PzOAPyz；N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide
• CAS: 1007838-23-4
• 化学式: C₁₀H₁₁N₇O
• 分子量: 245.244
• InChiKey: XICJABYAZHQKBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  122
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 N3-(3-pyrazolyl)-2-pyrazinecarboxamidrazone 以 甲醇 、 水 为溶剂， 以40%的产率得到[Cu4(PzOAPyz)4(ClO4)2](ClO4)2*6H2O
  参考文献：
  名称：

  基于吡唑的正交铁磁耦合[2×2]均相方Cu4网格：磁结构相关性

  摘要：

  摘要一种吡唑基正交铁磁耦合四铜（II）2×2均相网格络合物[Cu4（PzOAPyz）4（ClO4）2]（ClO4）2·6H2O（1）的合成和结构。描述了对位配体PzOAPyz和Cu（ClO4）2·6H2O。配体包含与中央柔性二嗪亚基（N–N）结合的末端吡唑和吡嗪残基，以及一个潜在的桥接烷氧基。两个相邻的金属中心通过烷氧基连接在一起，形成基本为方形的Cu4（μ-O4）簇。在Cu4（μ-O4）芯中，在四个铜中心中，两个铜中心是五配位的，其余​​两个是六配位的。在六配位的每种情况下，第六位置被配位的高氯酸根离子的氧原子之一占据。配合物1已经在结构和磁性上进行了表征。尽管较大的Cu–O–Cu桥角（137–138°）和较短的Cu–Cu距离（3.964–3.970 A）适合传输预期的反铁磁耦合，但基于方形的Cu4（μ-O4）簇在金属中心之间表现出分子内铁磁交换（J = 7.47 cm-1），且S = 2的磁性基态与磁轨道的准正交排列（dx

  DOI：

  10.1016/j.poly.2007.08.040

文献信息

• A rare pentanuclear cadmium(II) complex and two new mononuclear zinc(II) complexes of pyrazole derived ditopic ligands – Synthesis, crystal structures and spectral studies
  作者：Saugata Konar、Atanu Jana、Kinsuk Das、Sangita Ray、James A. Golen、Arnold L. Rheingold、Susanta Kumar Kar

  DOI：10.1016/j.ica.2012.12.003

  日期：2013.3

  Pyrazole based ditopic ligand HL1 ((Z)-N'-(5-methyl-1H-pyrazole-3-carbonyl)picolinohydrazonamide) reacts with Cd(ClO4)(2)center dot 6H(2)O and Zn(ClO4)(2)center dot 6H(2)O to form a self assembled pentanuclear Cd(II) complex [Cd-5(L-1)(6)](ClO4)(4) (1) and a mononuclear Zn(II) complex [Zn(HL1)(2)](ClO4)(2) (2). On the other hand, HL2 ((Z)-N'-(5-methyl-1H-pyrazole-3-carbonyl) pyrazine-2-carbohydrazonamide) also forms a mononuclear [Zn(HL2)](ClO4)(2)(MeOH)(2) (3) with Zn(ClO4)(2)center dot 6H(2)O. All these complexes have been characterized crystallographically and spectroscopically. The Cd(II) complex (1) has a pentanuclear core with trigonal bipyramidal arrangement of Cd(II) atoms, where, the axial metal centers (Cd2 and Cd5) have N3O3 chromophore and the equatorial centers (Cd1, Cd3 and Cd4) have N4O2 chromophore with distorted octahedral arrangement around the metal centres. In 2 and 3, the NNO donor ligand molecules in their ketoimine form produce distorted octahedral environment around the Zn(II) centre with N4O2 chromophore utilizing pyridine/pyrazine N, one azomethine N and one carbohydrazide O atoms. Here, the pyrazole ring N atoms remain silent in coordination process. On the other hand, in 1, the same ligand HL1 coordinates in its deprotonated imineol form and functions as N3O donor, while, the pyrazole N atoms take part in coordination process. Ligands HL1 and HL2 are fluorescence silent but complexes 1, 2 and 3 show considerable fluorescence. The fluorescence intensity of 1 is higher than that of 2 and 3. (C) 2012 Elsevier B. V. All rights reserved.