tetrakis(1-azacycloheptane-2-thione-S)bis(nitrate-O)cadmium(II) | 252565-90-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: tetrakis(1-azacycloheptane-2-thione-S)bis(nitrate-O)cadmium(II)
• 英文别名: azepane-2-thione;cadmium(2+);3,4,5,6-tetrahydro-2H-azepin-1-ium-7-thiolate;dinitrate
• CAS: 252565-90-5
• 化学式: C₂₄H₄₄CdN₆O₆S₄
• 分子量: 753.324
• InChiKey: OIQRBMWOAPSONK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.24
• 重原子数：
  41
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  215
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  ε-硫代己内酰胺 、 cadmium(II) nitrate tetrhydrate 以 氯仿 为溶剂， 生成 tetrakis(1-azacycloheptane-2-thione-S)bis(nitrate-O)cadmium(II)
  参考文献：
  名称：

  Complexation of ω-thiocaprolactam with heavy metals: terminal and bridging coordination modes in cadmium and silver compounds

  摘要：

  The soft base w-thiocaprolactam (1-azacycloheptane-2-thione, Hthcl) reacts with Cd-II and Ag-I nitrate salts, giving two new coordination complexes, [Cd(NO3)(2)(C6H11NS)(4)] and [Ag-4(C6H11NS)(8)](NO3)(4). The first compound, tetrakis(1-azacycloheptane-2-thione-S)bis(nitrate-O)cadmium(II), presents a slightly distorted octahedral coordination geometry, with two eta(1)-NO3 fragments in a cis arrangement and four Hthcl molecules bonded via the S atom of the thiocarbonyl group; coordination bond lengths involving S atoms range from 2.5768 (19) to 2.6828 (18) Angstrom. The cationic moiety of the silver compound, tetrakis[mu-(1-azacycloheptane-2-thione-S)]tetrakis[(1-azacycloheptane-2-thione-S)silver(I)] tetranitrate, is a centrosymmetric tetranuclear cluster containing eight HthcI molecules, four of which are in terminal positions [coordination distances 2.4850(19) and 2.478 (2) Angstrom], as in the Cd complex, while the other four bridge two metallic ions each, with coordination distances in the range 2.4608 (17)-2.6976 (18) Angstrom.

  DOI：

  10.1107/s0108270199005569