μ-bromo-μ-pyridine-3-carboxylato-κ3O,O':N-mercury(II) | 578742-09-3

• 英文名称: μ-bromo-μ-pyridine-3-carboxylato-κ3O,O':N-mercury(II)
• CAS: 578742-09-3
• 化学式: C₆H₄BrHgNO₂
• 分子量: 402.597
• InChiKey: QMEATNVRYBSYLU-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：

  烟酸 、 mercury dibromide 以 水 为溶剂， 以50.73%的产率得到μ-bromo-μ-pyridine-3-carboxylato-κ3O,O':N-mercury(II)
  参考文献：
  名称：

  Polymeric μ-bromo-μ-pyridine-3-carboxylato-κ³O,O′:N-mercury(II)

  摘要：

  The asymmetric unit of the title polymeric complex, [HgBr(C6H4NO2)](n) or HgBr(nic), contains mercury coordinated via two Br atoms [Hg-Br = 2.6528 (9) and 2.6468 (9) Angstrom], two carboxylate O atoms, which form a characteristic four-membered chelate ring [Hg-O = 2.353 (6) and 2.478 (7) Angstrom], and an N atom [Hg-N = 2.265 (5) Angstrom], in the form of a very irregular (3+2)-coordination polyhedron. The pronounced irregularity of the effective Hg (3+2)-coordination is a result of the rigid stereochemistry of the nicotinate ligand. According to the covalent and van der Waals radii criteria, the strongest bonds are Hg-Br and Hg-N. These covalent interactions form a two-dimensional polymer. The puckered planes are connected by van der Waals interactions, and there are only two intermolecular C-H...O hydrogen bonds [3.428 (10) and 3.170 (10) Angstrom].

  DOI：

  10.1107/s0108270103005705