[Ni(cyanamidonitrate)2(imidazole)4] | 242799-32-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [Ni(cyanamidonitrate)2(imidazole)4]
• 英文别名: 1H-imidazole;nickel(2+);nitroiminomethylideneazanide
• CAS: 242799-32-2
• 化学式: C₁₄H₁₆N₁₄NiO₄
• 分子量: 503.062
• InChiKey: PHVRVRZPULUFET-UHFFFAOYSA-N

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：

  咪唑 、 nickel(II) nitrate hexahydrate 、 potassium nitrocyanamide 以 甲醇 、 水 为溶剂， 以72%的产率得到[Ni(cyanamidonitrate)2(imidazole)4]
  参考文献：
  名称：

  Cyanamidonitrate–nickel(II) and –cobalt(II) complexes of imidazole ligands: X-ray crystallography and spectroscopic investigation

  摘要：

  New cyanamidonitrate complexes with imidazole (iz) and its methyl derivatives (meiz) of the type [M(NO2NCN)(2)L-4] (with M = Ni, L = iz, 1-, 2-, 4-meiz; M = Co, L = iz, 1-, 4-meiz) and [CoL4] (NO2NCN)(2) (with L = iz, 2-meiz) have been prepared and characterized by spectroscopic methods. The crystal structures of [Ni(NO2NCN)(2)(1-meiz)(4)] and [Co(NO2NCN)(2)(iz)(4)] have been determined by X-ray crystallography. The metal(II) environment is practically octahedral, composed of four tertiary nitrogens from imidazole ligands and two nitrile nitrogens from cyanamidonitrate groups. According to the spectral results, similar molecular structures can be assumed for all remaining [M(NO2NCN)(2)L-4] compounds. On the other hand, compounds [CoL4] (NO2NCN)(2) consist of tetrahedral complex cations [CoL4](2+) which are electrostatically attracted with NO2NCN-. An isomeric pair, [Co(NO2NCN)(2)(iz)(4)] and [Co(iz)(4)](NO2NCN)(2), of octahedral and tetrahedral structure, respectively, were characterized. (C) 2000 Elsevier Science Ltd All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00367-3