[4-methylpyridinium][Cu(isothiocyanate)3(4-methylpyridine)2]*4-methylpyridine | 497156-58-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [4-methylpyridinium][Cu(isothiocyanate)3(4-methylpyridine)2]*4-methylpyridine
• 英文别名: copper;4-methylpyridine;4-methylpyridin-1-ium;triisothiocyanate
• CAS: 497156-58-8
• 化学式: C₆H₇N*C₆H₈N*C₁₅H₁₄CuN₅S₃
• 分子量: 611.318
• InChiKey: ZINRMLUGUPEPHX-UHFFFAOYSA-O

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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  4-甲基吡啶 、 铜 、 硫脲 以 further solvent(s) 为溶剂， 以99%的产率得到[4-methylpyridinium][Cu(isothiocyanate)3(4-methylpyridine)2]*4-methylpyridine
  参考文献：
  名称：

  Synthesis and characterization of anionic transition metal isothiocyanate complexes prepared from metal powders and thiourea

  摘要：

  Three new isothiocyanate-4-methylpyridine anionic compounds were prepared by refluxing metal powders (Mn, Fe, and Cu) with thiourea in 4-methylpyridine (gamma-picoline). The isothiocyanate ligand is believed to be generated in situ by the isomerization of thiourea to NH4+SCN- at reflux temperatures. The complexes (HPic)(2)[Mn(NCS)(4)(Pic)(2)].2pic (1), (HPic)(2)[Fe(NCS)(4)(Pic)(2)].2pic (2), and (Hpic)[Cu(NCS)(3)(PiC)(2)].PiC (3) (where pic = gamma-picoline) were characterized by single crystal X-ray crystallography. Compounds 1 and 2 are isostructural with four equatorially bound isothiocyanate ligands and two axially bound gamma-picoline molecules. Compound 3 is a five-coordinate Cu(II) molecule with a distorted square pyramidal geometry. Coordinated picoline and two isothiocyanates form the basal plane and the remaining isothiocyanate is bound at the apex. The structural data for compounds 1, 2, and 3 are presented. Published by Elsevier Science B.V.

  DOI：

  10.1016/s0020-1693(02)00903-9