1,4-dimethylpyridinium bis(1,3-dithiole-2-thione-4,5-dithiolato)antimonate(III) | 166268-09-3

• 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: 1,4-dimethylpyridinium bis(1,3-dithiole-2-thione-4,5-dithiolato)antimonate(III)
• 英文别名: 1,4-dimethylpyridin-1-ium;3,3'-spirobi[2,4,6,8-tetrathia-3-stibanuidabicyclo[3.3.0]oct-1(5)-ene]-7,7'-dithione
• CAS: 166268-09-3
• 化学式: C₆S₁₀Sb*C₇H₁₀N
• 分子量: 622.639
• InChiKey: IDDXAYIUDADIML-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  5.14
• 重原子数：
  25.0
• 可旋转键数：
  0.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  3.88
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  bis(1,4-dimethyl-pyridinium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zincate 、 三溴化锑 在 NaSCN*3H₂O 作用下， 以 丙酮 为溶剂， 生成 1,4-dimethylpyridinium bis(1,3-dithiole-2-thione-4,5-dithiolato)antimonate(III)
  参考文献：
  名称：

  Synthesis and Characterization of Tetraethylammonium and 1,4-Dimethylpyridinium Antimony(III) Bis-dmit Complexes

  摘要：

  The synthesis and characterisation of two novel antimony (III) bis-dmit complexes are reported [H-2-dmit = 4,5-dimercapto-1, 3-dithiole-2-thione]. Compounds [Y][Sb(dmit)(2)] [Y = Et(4)N (1) and Y = C7H10N (1,4-dimethylpyridinium) (2)] are the first main group dmit complexes to show significant metal-sulfur interanionic interaction in the solid state. The [Sb(dmit)(2)](-) anions in both complexes contain strong Sb-S primary bonds arranged to give pseudo trigonal bipyramidal antimony atoms (lone pair of electrons in equatorial site; axial (Sb-S) mean 2.67 Angstrom and equatorial (Sb-S) mean = 2.50 Angstrom). Secondary Sb- - -S interanionic interactions have been revealed by X-ray crystallography. Details of the crystal structures are as follows 1, monoclinic, C2/c, a = 12.391(7) Angstrom, b = 13.090(7) Angstrom, c 15.587(8) Angstrom, beta = 102.7(1)degrees, V = 2466.3 Angstrom(3), Z = 4; for 2, triclinic, P (1) over bar, a = 8.986(5) Angstrom, b = 10.983(6) Angstrom, c = 11.365(6) Angstrom, alpha = 87.1(1)degrees, beta = 74.3(2)degrees, gamma = 88.0(1)degrees, V = 1245.2 Angstrom(3), Z = 2. The crystal structure of 1 consists of a polymeric two dimensional network formed by the bridging of Sb atoms and terminal S atoms of adjacent molecules. In contrast, the crystal structure of 2 consists of anionic dimers, although this structure also involves bridging between Sb atoms and terminal S atoms. In both cases the Sb- - -S interanionic distances are about 3.3 Angstrom, which is 0.6 Angstrom shorter than the sum of the van der Waals radii of Sb and S. Cyclic voltammetry studies of 1 in dimethylformamide show an oxidation wave and an associated reduction wave. The large separation, 0.7 V, between these is indicative of an intervening chemical reaction.

  DOI：

  10.1021/ic00122a013