[Co(N-(2-phenylthiolato)-2,5-dimethylpyrrole)2(N-methylimidazole)2] | 221467-97-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Co(N-(2-phenylthiolato)-2,5-dimethylpyrrole)2(N-methylimidazole)2]
• CAS: 221467-97-6
• 化学式: C₃₂H₃₆CoN₆S₂
• 分子量: 627.803
• InChiKey: JUNOKFOLBBYIDF-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：
  None

反应信息

• 作为产物：
  描述：

  N-甲基咪唑 、 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenethiol 、 cobalt(II) chloride 在 Et₃N 作用下， 以 甲醇 为溶剂， 以33%的产率得到[Co(N-(2-phenylthiolato)-2,5-dimethylpyrrole)2(N-methylimidazole)2]
  参考文献：
  名称：

  Metal(II) complexes with monodentate S and N ligands as structural models for zinc–sulfur DNA-binding proteins

  摘要：

  The reaction of several metal salts with various amounts of the monodentate ligands N-(2-thiophenyl)-2,5-dimethylpyrrole (H-tpdp) and N-methylimidazole in the presence of a base provided a series of novel complexes. They are of the general formulas [M-II(tpdp)(4)](2-)[M-II(tpdp)(2)(N-MeIm)(2)] (M = Zn, Co, Cd) and [M-II(tpdp)(3)(N-MeIm)](-) (M = Zn, Co). The products were characterized by X-ray structure analyses as well as by elemental analyses and infrared spectroscopy, and for the cobalt complexes by additional UV-Vis spectroscopy. Crystallographic parameters: [Et3NH](2)[Zn(tpdp)(4)]. MeCN (1), [Et3NH](2)[Co(tpdp)(4)]. MeCN (2), [Zn(tpdp)(2)(N-MeIm)(2)] (6) and [Co(tpdp)(2)(M-MeIm)(2)] (7) are monoclinic, space group P2(1)/c, with Z = 4; [Cd(tpdp)(2)(N-MeIm)(2)] (8) is monoclinic, space group P2(1)/n, with Z = 4; [Ph4P](2)[Cd(tpdp)(4)] (3), [Me4N] [Zn(tpdp)(3)(N-MeIm)] (4), and [Me4N][Co(tpdp)(3)(N-MeIm)] (5) are triclinic, space group P (1) over bar, with Z = 2. All compounds have tetragonally compressed metal cores. The complexes are significant as models for many zinc-containing DNA-binding proteins. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00351-x