[Ni(ethylenediamine)2(5-(3-pyridyl)-1,3,4-oxadiazole-2-thione)] | 1076232-61-5

• 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: [Ni(ethylenediamine)2(5-(3-pyridyl)-1,3,4-oxadiazole-2-thione)]
• 英文别名: Ni(ethylenediamine)2(N-(pyridine-4-carbonyl)-hydrazine carbothiolate)2
• CAS: 1076232-61-5；1139685-43-0
• 化学式: C₁₈H₂₄N₁₀NiO₂S₂
• 分子量: 535.276
• InChiKey: BCRDATUXYHLHNL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  potassium 3-nicotinoyldithiocarbazate 、 {Ni(SCN)2en2} 以 甲醇 、 水 为溶剂， 生成 [Ni(ethylenediamine)2(5-(3-pyridyl)-1,3,4-oxadiazole-2-thione)]
  参考文献：
  名称：

  Syntheses and X-ray structural studies of the novel complexes [Ni(en)2(3-pyt)2] and [Cu(en)2](3-pyt)2 based on 5-(3-pyridyl)-1,3,4-oxadiazole-2-thione

  摘要：

  Two novel mononuclear mixed-ligand complexes [Ni(en)(2)(3-pyt)(2)] (1) and [Cu(en)(2)](3-pyt)(2) (2), derived from potassium [N'-(pyridine-3-carbonyl)-hydrazinecarbodithioate [K+(H2L)(-)] and containing en as a coligand, have been synthesized. The [K+(H2L)(-)] undergoes cyclization in the presence of ethylenediamine (en) and is converted to 5-(3-pyridyl)-1,3,4-oxadiazole-2-thione (3-pyt)(-). [Ni(en)(2)(3-pyt)(2)] and [Cu(en)(2)](3-pyt)(2) have been characterized with the aid of elemental analyses, IR, UV-Vis, magnetic susceptibility and single crystal X-ray studies. The complexes 1 and 2 crystallize in the orthorhombic and monoclinic systems with space groups Pca2(1) and C2/c, respectively. The single crystal X-ray diffraction studies of both complexes indicate that (3-pyt)(-) adopts a thione form in 1 but is present as a thiolato form in 2. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.06.038

文献信息

• Synthesis and X-ray crystallographic studies of Ni (II) and Cu (II) complexes of [5-(4-pyridyl)-1,3,4] oxadiazole-2-thione/thiol formed by transformation of N-(pyridine-4-carbonyl)-hydrazine carbodithioate in the presence of ethylenediamine
  作者：N.K. Singh、M.K. Bharty、R. Dulare、R.J. Butcher

  DOI：10.1016/j.poly.2009.04.030

  日期：2009.8

  The reaction of [M(H(2)L)(2)] [M = Ni(II) Cu(II)] (K(+)H(2)L(-) = N-(pyridine-4-carbonyl)-hydrazine carbodithioate) with excess of ethylenediamine (en) gave mixed ligand complexes [Ni(en)(2)(4-pytone)(2)] (4-pytone = 5-(4-pyridyl)-1,3,4-oxadiazole-2-thione), and [Cu(en)(2)](4-pytol)(2)center dot H(2)O (4-pytol = 5-(4-pyridyl)-1,3,4-oxadiazole-2-thiol). The metal complexes have been characterized with the aid of elemental analyses, IR, magnetic susceptibility and single crystal X-ray studies. Complexes (1) and (2) crystallize in monoclinic system, space group P(1) (21)/n(1) and C(2)/c, respectively. The ligand after cyclization is present in the deprotonated thiol form in the Cu(II) complex where it is ionically bonded through sulfur. In the Ni(II) complex (1) bonding of the ligand take place through oxadiazole nitrogen and the ligand exists as the thione form. (C) 2009 Elsevier Ltd. All rights reserved.