1,4-dimethylpyridinium Ph2SnCl(4,5-dimercapto-1,3-dithiole-2-thionato(2-)) | 220616-08-0

• 英文名称: 1,4-dimethylpyridinium Ph2SnCl(4,5-dimercapto-1,3-dithiole-2-thionato(2-))
• CAS: 220616-08-0
• 化学式: C₇H₁₀N*C₁₅H₁₀ClS₅Sn
• 分子量: 612.901
• InChiKey: HZNUHRYDYZMAMU-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  1,4-dimethylpyridinium Ph2SnCl(4,5-dimercapto-1,3-dithiole-2-thionato(2-)) 、 potassium bromide 以 甲醇 、 丙酮 为溶剂， 以79%的产率得到
  参考文献：
  名称：

  Syntheses and structures of diorgano(halo- orpseudohalo-)(1,3-dithiole-2-thione-4,5-dithiolato)-stannates (1-), [Q][R2SnX(dmit)] (Q=onium cation; X=halide orpseudohalide)

  摘要：

  Ionic compounds, [Q] [R2SnX(dmit)] [dmit = 1,3-dithiole-2-thione-dithiolate; Q = 1,4-dimethlpyridinium or tetraalkylammonium R = Ph or alkyl; X = Cl, Br, I, NCS, NCSe, or N-3] have been obtained by (a) from R2SnX2 and [Q](2)[Zn(dmit)(2)] in the presence of excess QX, (b) from halide exchange reactions in acetone solution between [Q] [R2SnCl(dmit)] and a halide or pseudohalide source, or (c) by addition of QX to [R2Sn(dmit)]. Crystal structure determinations of [NEt4] [Ph2SnI(dmit)] and [1,4-Me(2)pyridinium] [Ph2SnBr(dmit)] as well as of the mixed halides. [1,4-Me(2)pyridinium] [Ph2SnCln,I(1-)n(dmit)] (n = 0.57, 0.42 or 0.22), indicated that the till atoms have distorted trigonal bipyramidal geometries in the anions: with the X ligand and a dithiolato atom in the axial sites. The [R2SnX(dmit)](-) anions remain essentially intact in organic solvents, but lose X- on extraction with H2O to give the neutral species, R2Sn(dmit). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00254-x
• 作为产物：
  描述：

  bis(1,4-dimethyl-pyridinium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zincate 、 二苯基二氯化锡 以 甲醇 、 丙酮 为溶剂， 以78%的产率得到1,4-dimethylpyridinium Ph2SnCl(4,5-dimercapto-1,3-dithiole-2-thionato(2-))
  参考文献：
  名称：

  Syntheses and structures of diorgano(halo- orpseudohalo-)(1,3-dithiole-2-thione-4,5-dithiolato)-stannates (1-), [Q][R2SnX(dmit)] (Q=onium cation; X=halide orpseudohalide)

  摘要：

  Ionic compounds, [Q] [R2SnX(dmit)] [dmit = 1,3-dithiole-2-thione-dithiolate; Q = 1,4-dimethlpyridinium or tetraalkylammonium R = Ph or alkyl; X = Cl, Br, I, NCS, NCSe, or N-3] have been obtained by (a) from R2SnX2 and [Q](2)[Zn(dmit)(2)] in the presence of excess QX, (b) from halide exchange reactions in acetone solution between [Q] [R2SnCl(dmit)] and a halide or pseudohalide source, or (c) by addition of QX to [R2Sn(dmit)]. Crystal structure determinations of [NEt4] [Ph2SnI(dmit)] and [1,4-Me(2)pyridinium] [Ph2SnBr(dmit)] as well as of the mixed halides. [1,4-Me(2)pyridinium] [Ph2SnCln,I(1-)n(dmit)] (n = 0.57, 0.42 or 0.22), indicated that the till atoms have distorted trigonal bipyramidal geometries in the anions: with the X ligand and a dithiolato atom in the axial sites. The [R2SnX(dmit)](-) anions remain essentially intact in organic solvents, but lose X- on extraction with H2O to give the neutral species, R2Sn(dmit). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00254-x

文献信息

• 1,4-Dimethylpyridinium (1,3-dithiole-2-thione-4,5-dithiolato)(isothiocyanato)diphenylstannate(1–)
  作者：A. Khan、J. N. Low、J. L. Wardell、G. Ferguson

  DOI：10.1107/s0108270198005496

  日期：1998.10.15

  in the title compound, 1,4-dimethylpyridinium [4,5-dimercapto-1,3-dithiole-2-thionato(2-)-S-4,S-5](isothiocyanato)diphenylstannate(1-), (C7H10N)[Sn(NCS)(C6H5)(2)(C3S5)], the anion has distorted trigonal-bipyramidal coordination at the Sn atom, with the thiocyanato N and a thiolato S atom axial [Sn-N 2.262 (3), Sn-S 2.5917(10) Angstrom and N-Sn-S 164.58(8)degrees]. The remaining thiolato S and two phenyl C atoms complete the equatorial coordination at Sn [Sn-S 2.4399(10), and Sn-C 2.137 (4) and 2.139 (4) Angstrom].