[Hg(4-(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazacyclododecane)(ClO4)2] | 1246081-69-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: [Hg(4-(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazacyclododecane)(ClO4)2]
• CAS: 1246081-69-5
• 化学式: C₁₄H₂₃Cl₂HgN₃O₈S₂
• 分子量: 696.98
• InChiKey: DVZFXTGFHKOPHZ-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：

  mercury (II) perchlorate trihydrate 、 4-(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazacyclododecane 以 甲醇 为溶剂， 以95%的产率得到[Hg(4-(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazacyclododecane)(ClO4)2]
  参考文献：
  名称：

  Two Hg(II) complexes with a capped trigonal prismatic geometry derived from multidentate macrocyclic ligands containing N and S donors, with coordinated anions

  摘要：

  Two Hg(II) complexes [HgL'(ClO(4))(2)] (1) and [HgL(ClO(4))]ClO(4) (2) derived from the macrocyclic ligands, 4-(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazacyclododecane (L') and 7-(pyridin-2-ylmethyl)-1,4,10-trithia- 7,13-diazacyclopentadecane (L), have been crystallographically characterised. Ligand L and its Hg(II) complex were isolated unexpectedly, and a possible formation pathway of the ligand is proposed. By including weakly bound O atoms from the perchlorate ions, the Hg atoms in both complexes are seven-coordinate and possess capped trigonal prismatic geometries. These uncommon structures for Hg(II) complexes were achieved mainly by the relatively large size of the metal ion and the steric effect from the macrocycles. In both complexes, strong hydrogen bonding between the amine hydrogen atom and a perchlorate ion was observed. For complex 1, the interaction is N(3)-H(15)center dot center dot center dot O(8) at 2.08(12)angstrom where O(8) is of the same anion as one of the coordinated O atoms; in complex 2, a similar hydrogen bond, N(7)-H(7)center dot center dot center dot O(32), with a distance of 2.25(12)angstrom, is formed to the coordinated anion, but the second anion remains discrete. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.03.066