2-methylanilinium trichlorostannate(II) | 159267-16-0

• 英文名称: 2-methylanilinium trichlorostannate(II)
• CAS: 159267-16-0
• 化学式: C₇H₁₀N*Cl₃Sn
• 分子量: 333.232
• InChiKey: FKZRDRKBZICVNA-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：

  2-甲基苯胺 盐酸盐 、 tin(ll) chloride 以 not given 为溶剂， 生成 2-methylanilinium trichlorostannate(II)
  参考文献：
  名称：

  X-ray photoelectron and diffuse reflectance infrared spectroscopic studies of hydrogen bonding in substituted anilinium chloride and trichlorostannate (II) derivatives

  摘要：

  It is reported how the N-H-Cl hydrogen bonding in anilinium chloride and trichlorostannate (II) derivatives is affected by methyl and methoxy substitutions in the phenyl ring of an aniline group. Such hydrogen bonding has been confirmed by close N - Cl contacts in an X-ray structure determination on 2-methylanilinium trichlorostannate (II). Crystals are orthorhombic: space group P2(1)2(1); a = 0.7290(3) nm, b = 1.9096(7) nm, c = 0.8233(4) nm, alpha = beta = gamma = 90 degrees; V = 1.1461(8) nm(3), Z = 4. The degree of hydrogen bonding manifests itself in changes in the core electron binding energies of the N and Cl atoms as observed by X-ray photoelectron spectroscopy (XPS), and also by the characteristic shift in the N - H stretching frequency measured by diffuse reflectance infrared spectroscopy. Correlations are observed between changes in the anilinium nu(N - H) force constants and changes in the corresponding N(1s) and Cl(2p) binding energies. The varying degrees of hydrogen bonding depend on the positions and types of substituents on the aniline aromatic ring and correlate with their dissociation constants, pK(a); but, theoretical analysis of one of the methylaniline hydrochlorides shows that the position of the H atom in the hydrogen bond, N-H-Cl, is a significantly stronger influence on the fractional charge on nitrogen, suggesting that overall crystal structure may be the determining factor on N charge.

  DOI：

  10.1002/pssa.2211440202