[Ni(S-methylisothiosemicarbazide)2(NO3)2] | 76401-40-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [Ni(S-methylisothiosemicarbazide)2(NO3)2]
• CAS: 76401-40-6；849698-57-3
• 化学式: C₄H₁₄N₈NiO₆S₂
• 分子量: 393.027
• InChiKey: FQOAXDGUPYIMCF-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

• 作为反应物：
  描述：

  [Ni(S-methylisothiosemicarbazide)2(NO3)2] 、 disodium terephthalate 以 水 为溶剂， 以72%的产率得到[Ni(S-methylisothiosemicarbazide)2(NO3)2](telephthalate dianion)
  参考文献：
  名称：

  Transition metal complexes with thiosemicarbazide-based ligands. XLIV. The supramolecular arrangement in the Ni(II) complexes of S-methylisothiosemicarbazide

  摘要：

  The reaction of the octahedral complex [Ni(lTSC)(2)(NO3)(2)] (1) with sodium terephthalate yielded the novel octahedral complex [Ni(ITSC)(2)(H2O)(2)](tere) (.) 2H(2)O (2), (ITSC = S-methylisothiosemicarbazide, tere = terephthalate dianion). The X-ray structural analysis of the starting and the final compound showed that they have a centrosymmetric octahedral geometry with the NiN4O2 chromophore. As a result of the non-covalent intermolecular interactions, molecules of both complexes tend to associate into the characteristic 2D blocks separated by S-methyl moieties. In the case of 2, the terephthalate anions, located between the S-methyl groups, enable the transformation of the 2D into 3D supramolecular structure. The similar structural arrangement is also found, in two previously published structures. (C) 2004 Published by Elsevier B.V.

  DOI：

  10.1016/j.inoche.2004.10.001