(bis(benzimidazol-2-ylmethyl) sulfide)ZnCl2 | 102711-46-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: (bis(benzimidazol-2-ylmethyl) sulfide)ZnCl2
• 英文别名: Zn(bis((1H-benzo[d]imidazol-2-yl)methyl)sulfane)Cl₂；Zn(bbms)Cl₂
• CAS: 102711-46-6；159027-63-1
• 化学式: C₁₆H₁₄Cl₂N₄SZn
• 分子量: 430.676
• InChiKey: WNYOZDXWLCHUFT-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：

  zinc(II) chloride 、 2-(1H-苯并咪唑-2-基甲基硫基甲基)-1H-苯并咪唑 以 甲醇 为溶剂， 以79%的产率得到(bis(benzimidazol-2-ylmethyl) sulfide)ZnCl2
  参考文献：
  名称：

  晶体中双苯并咪唑配体锌配合物的分子结构及其溶液中配体交换反应的动力学

  摘要：

  已经合成了与双苯并咪唑、[ZnL(PhCOO)2] 1、[ZnLCl2] 2 和 [ZnL2]2+ 3 的锌配合物，其中 L = 2,2'-硫代二亚甲基双（苯并咪唑）。它们的分子结构是基于 X 射线晶体结构和扩展 X 射线吸收精细结构 (EXAFS) 分析确定的。1·1.5DMF 的分子结构显示出围绕 Zn(II) 的扭曲四面体几何形状，由两个苯并咪唑基团的每个氮原子和两个苯甲酸根离子的每个氧原子配位。在 2 或 3·(ClO4)2 的溶液中，相同的化学物质 [ZnLCl2] 或 [ZnL2]2+ 存在于每个晶体中锌周围的配位结构中。通过 X 射线晶体结构和 EXAFS 分析确定的 13C NMR 数据与 1、2 和 3 中锌配合物最可能的分子结构相结合，

  DOI：

  10.1246/bcsj.70.2925

文献信息

• Synthesis, X-ray structure, theoretical investigation, corrosion inhibition and antimicrobial activity of benzimidazole thioether and theirs metal complexes
  作者：Mehdi Bouchouit、Mohamed Elhadi Said、Mounira Kara Ali、Sofiane Bouacida、Hocine Merazig、Noreddine Kacem Chaouche、Aissa Chibani、Bachir Zouchoune、Ali Belfaitah、Abdelmalek Bouraiou

  DOI：10.1016/j.poly.2016.08.045

  日期：2016.11

  Synthesis, characterization, corrosion inhibition as well as antimicrobial activity of the coordination compounds Co(bbms)Cl-2}, Zn(bbms)Cl-2}, Co(btmb)Cl-2) and Zn(btmb)Cl-2} containing benzimidazole thioether have been described. Co(bbms) and Zn(bbms) as well as Co(btmb) and Zn(btmb) are isostructural with space group Pbca and P21 respectively.The coordination polyhedron around the metal center for all complexes may be described as a quasi regular tetragonal geometry. The corrosion inhibition study of these complexes for steel in 0.5 M H2SO4 medium has been investigated using potentiodynamic polarization and EIS techniques. These later show the corrosion inhibition ability of the prepared complexes for steel in acid medium. A new procedure has been developed for antimicrobial assay using a solid tablet of the corresponding complexes: These later show moderate to significant antimicrobial activities against: Pseudomonas syringae, Staphylococcus aureus and Pichia caribbica. DFT/BP86 calculations have been carried out on the neutral complexes and on the monoanionic of (1) and (3) forms of singlet and triplet species. The optimized structures reproduce those observed experimentally, while the reduced ones undergo remarkable geometrical parameters variations. (C) 2016 Elsevier Ltd. All rights reserved.
• Gregorzik, Ralf; Vahrenkamp, Heinrich, Chemische Berichte, 1994, vol. 127, # 10, p. 1857 - 1864
  作者：Gregorzik, Ralf、Vahrenkamp, Heinrich

  DOI：——

  日期：——