Ni(ClNbsa)₂(NH₃)₄ | 1573211-88-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ni(ClNbsa)₂(NH₃)₄
• 英文别名: Ni(4-chloro-2-nitrobenzenesulfonamide-H)₂(NH₃)₄
• CAS: 1573211-88-7
• 化学式: C₁₂H₂₀Cl₂N₈NiO₈S₂
• 分子量: 598.068
• InChiKey: KCFMGZOKOIZJDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None

反应信息

• 作为产物：
  描述：

  4-氯-2-硝基苯磺酰胺 、 氨 、 nickel dichloride 以 乙醇 为溶剂， 反应 4.0h， 生成 Ni(ClNbsa)₂(NH₃)₄
  参考文献：
  名称：

  Synthesis, crystal structure, spectroscopic, thermogravimetric and theoretical characterization of Ni(II) and Zn(II) complexes with 4-chloro-2-nitrobenzenesulfonamide

  摘要：

  Two new complexes of Ni and Zn with 4-chloro-2-nitrobenzenesulfonamide (ClNbsa) have been synthesized and characterized. The structure of the [Ni(ClNbsa)(2)(NH3)(4)] complex was determined by X-ray diffraction methods. It crystallizes in the monoclinic P2(1)/c space group with a = 12.8679(3) angstrom, b = 7.7254(1) angstrom, c = 12.2478(2) angstrom, beta = 109.899(2)degrees, V = 1144.85 (4)angstrom(3) and Z = 4 molecules per unit cell. The coordination geometry of the Nickel (II) ion in the complex can be described as a distorted octahedron with two N-sulfonamide and four NH3 groups in opposite vertices. Due to the poor solubility of the Zn(II) complex, their cell parameters were determined by indexing the powder X-ray pattern using the successive dichotomy method implemented in the Fullprof Suite software package. A triclinic cell was determined with cell parameters a = 18.3724(1) angstrom, b = 7.9468(8) angstrom, c = 10.2212(9) angstrom alpha = 63.061(6) beta = 108.754(6) gamma = 109.153(6) and V = 1229.97(2)angstrom(3). Nuclear magnetic resonance (NMR) spectroscopy of H-1 and C-13 have been used for support the structure of the Zn complex. Vibrational and electronic spectroscopy have been used to characterize the compounds, using theoretical calculations for the assignment of the experimental bands. The thermal behavior was investigated by thermogravimetric analyses (TG) and differential thermal analysis (DT). (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2013.11.058