[NiCl2(N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2-aminobenzimidazole)2] | 949172-42-3

• 英文名称: [NiCl2(N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2-aminobenzimidazole)2]
• CAS: 949172-42-3
• 化学式: C₂₂H₂₄Cl₂N₈NiS₂
• 分子量: 594.214
• InChiKey: SIUKYHGGONKPCU-UHFFFAOYSA-L

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：
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反应信息

• 作为产物：
  描述：

  nickel(II) chloride hexahydrate 、 N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2-aminobenzimidazole 以 甲醇 为溶剂， 以31.6%的产率得到[NiCl2(N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2-aminobenzimidazole)2]
  参考文献：
  名称：

  Nickel(II) and zinc(II) complexes with N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2-aminobenzimidazole (BzTz): Synthesis, spectral and structural characterization

  摘要：

  The reaction of nickel and zinc chlorides and nitrates with the ligand N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2-aminobenzimidazole (BzTz) leads to the formation of the new complexes: [NiCl2,(BzTz)21 (1), [Ni(NO3)(BzTZ)(2)(H2O) NO3) (2), [ZnCl2(BzTz)(2)] (3) and [Zn(NO3)(2)(BzTz)(2)] (4). They have been characterized by spectroscopic methods (electronic, infrared and NMR) and magnetic susceptibility measurements. Additionally, the crystal structures of the complexes 1 and 3 have been determined by X-ray single-crystal diffraction. The ligand exhibits the N-benzimidazole coordination mode on interacting with the metal centers. The X-ray structure of the complexes 1 and 3 reveals a distorted tetrahedral coordination geometry around the metal center, with the metallic atoms coordinated to two chlorine atoms and two benzimidazole nitrogen atoms. These two complexes are isostructural, crystallizing in the monoclinic system and Cc space group. In complex 2 the geometry around the nickel atom could be described as a distorted octahedron whereas in case of complex 4 the zinc atom is in a distorted tetrahedral environment. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.02.016