bis(2-amino-4-methylpyridinium) | 42051-70-7

• 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: bis(2-amino-4-methylpyridinium)
• 英文别名: 4-methyl-1H-pyridin-1-ium-2-imine
• CAS: 42051-70-7
• 化学式: C₆H₈N₂*H
• 分子量: 109.151
• InChiKey: ORLGLBZRQYOWNA-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  40.2
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  cadmium(II) chloride 、 bis(2-amino-4-methylpyridinium) 、 mercury dichloride 在 盐酸 作用下， 反应 8.0h， 生成 (C6H9N2)2(Hg0.75Cd0.25)Cl4
  参考文献：
  名称：

  Synthesis, structural characterization and dielectric properties of (C6H9N2)2(Hg0.75Cd0.25)Cl4 compound

  摘要：

  The present paper undertakes the study of a title compound whose structure is (C6H9N2)(2)(Hg0.75Cd0.25)Cl-4. The centrosymmetric compound crystallizes in the triclinic space group P-1, with a = 7.580(7) angstrom; b = 8.572(8) angstrom; c = 15.433(13) angstrom; alpha = 84.49(5)degrees; beta = 89.13(5)degrees; gamma = 68.53(5)degrees and Z=2. The crystal structure was solved and refined to R (int) = 0.0212 using 7932 independent reflections. The atomic arrangement shows an alternation of organic and inorganic layers. Between layers, the cohesion is performed via N-H center dot center dot center dot Cl hydrogen bonding, yet in the organic sheets, cations are further connected to classical pi-pi stacking. The Infrared and Raman spectra of this compound reported from 400 to 4000 cm(-1) confirmed the presence of the principal bands assigned to the internal modes of organic cation. Solid-state C-13 and Cd-111 CP-MAS-NMR spectra are reported. The dielectric study of this compound has been measured, in order to determine the sigma(d.c) conductivity which is thermally activated with activation energy about 1.5 eV. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.10.109

文献信息

• Synthesis, structural characterization and dielectric properties of (C6H9N2)2(Hg0.75Cd0.25)Cl4 compound
  作者：R. Elwej、M. Hamdi、N. Hannachi、F. Hlel

  DOI：10.1016/j.saa.2013.10.109

  日期：2014.3

  The present paper undertakes the study of a title compound whose structure is (C6H9N2)(2)(Hg0.75Cd0.25)Cl-4. The centrosymmetric compound crystallizes in the triclinic space group P-1, with a = 7.580(7) angstrom; b = 8.572(8) angstrom; c = 15.433(13) angstrom; alpha = 84.49(5)degrees; beta = 89.13(5)degrees; gamma = 68.53(5)degrees and Z=2. The crystal structure was solved and refined to R (int) = 0.0212 using 7932 independent reflections. The atomic arrangement shows an alternation of organic and inorganic layers. Between layers, the cohesion is performed via N-H center dot center dot center dot Cl hydrogen bonding, yet in the organic sheets, cations are further connected to classical pi-pi stacking. The Infrared and Raman spectra of this compound reported from 400 to 4000 cm(-1) confirmed the presence of the principal bands assigned to the internal modes of organic cation. Solid-state C-13 and Cd-111 CP-MAS-NMR spectra are reported. The dielectric study of this compound has been measured, in order to determine the sigma(d.c) conductivity which is thermally activated with activation energy about 1.5 eV. (C) 2013 Elsevier B.V. All rights reserved.