di(2H-indazol-2-yl)methanemercury(II) dithiocyanate | 1255148-01-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: di(2H-indazol-2-yl)methanemercury(II) dithiocyanate
• CAS: 1255148-01-6
• 化学式: C₁₇H₁₂HgN₆S₂
• 分子量: 565.044
• InChiKey: OUQZRNXXIXNCPQ-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：

  mercury(II) thiocyanate 、 di(2H-indazol-2-yl)methane 以 乙腈 为溶剂， 以72%的产率得到di(2H-indazol-2-yl)methanemercury(II) dithiocyanate
  参考文献：
  名称：

  Synthesis and Coordination Chemistry of Two N₂-Donor Chelating Di(indazolyl)methane Ligands: Structural Characterization and Comparison of Their Metal Chelation Aptitudes

  摘要：

  The N-2-donor bidentate ligands di(1H-indazol-1-yl)methane (L-1) and di(2H-indazol-2-yl)methane (L-2) (L in general) have been synthesized, and their coordination behavior toward Zn-II, Cd-II, and Hg-II salts has been studied. Reaction of L-1 and L-2 with ZnX2 (X = Cl, Br, or I) yields [ZnX2L] species (1-6), that, in the Gold state, show a tetrahedral structure with dihapto ligand coordination via the pyrazolyl arms. The reaction of L-1 and L-2 with Zn(NO3)(2)center dot 6H(2)O is strongly dependent on the reaction conditions and on the ligand employed. Reaction of L-1 with equimolar quantities of Zn(NO3)(2)center dot 6H(2)O yields the neutral six-coordinate species [Zn(NO3)(2)(L-1)], 7. On the other hand the use of L-1 excess gives the 2:1 adduct [Zn(NO3)(2)(L-1)(2)], 8 where both nitrates act as a unidentate coordinating ligand. Analogous stoichiometry is found in the compound obtained from the reaction of L-2 with Zn(NO3)(2)center dot 6H(2)O which gives the ionic [Zn(NO3)(L-2)(2)](NO3), 10. Complete displacement of both nitrates from the zinc coordination sphere is observed when the reaction between L-1 excess and the zinc salt was carried out in hydrothermal conditions. The metal ion type is also determining structure and stoichiometry: the reaction of L-2 with CdCl2 gave the 2:1 adduct [CdCl2(L-2)(2)] 11 where both chlorides complete the coordination sphere of the six-coordinate cadmium center; on the other hand from the reaction of L-1 with CdBr2 the polynuclear [CdBr2(L-1)](n) 12 is obtained, the Br- anion acting as bridging ligands in a six-coordinate cadmium coordination environment. The reaction of L-1 and L-2 with HgX2 (X = Cl, I, SCN) is also dependent on the reaction condition's and the nature of X, two different types of adducts being formed [HgX(L)](14: L = L-1, 16, 17: L = L-1 or L-2, X=I, 19: L=L-2, X = SCN) and [HgX(L)(2)] (15:L = L-2, X = Cl, 18: L = L-1, X = SCN). The X-ray diffraction analyses of compounds 1, 2, 4, 5, 7, 8, 10-12, 14, 15,; and 19 are also reported. The variations of the coordination geometry parameters in the complexes are compared and discussed.

  DOI：

  10.1021/ic101577k