bis(5-phenyltetrazol-2-yl)methane

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: bis(5-phenyltetrazol-2-yl)methane
• 英文别名: 5,5'-diphenyl-2,2'-methyleneditetrazole；2,2'-methanediylbis(5-phenyl-2H-tetrazole)；5-phenyl-2-[(5-phenyltetrazol-2-yl)methyl]tetrazole
• 化学式: C₁₅H₁₂N₈
• 分子量: 304.314
• InChiKey: WLCDLEXEOWKHRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  87.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  二碘甲烷 、 5-苯基四氮唑 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以59%的产率得到bis(5-phenyltetrazol-2-yl)methane
  参考文献：
  名称：

  Bis(5-phenyltetrazol-2-yl)methane

  摘要：

  In the title compound, alternatively named 5,5'-diphenyl-2,2'-methyleneditetrazole, C15H12N8, the dihedral angles between the tetrazole and benzene rings in the two 5-phenyltetrazole fragments are 2.45 (6) and 10.01 (9)degrees. There is weak intermolecular C-H...N hydrogen bonding involving the H atoms of the methylene groups, which is responsible for the formation of two-membered aggregates. C-H...pi interactions in the crystal structure are discussed.

  DOI：

  10.1107/s0108270102008466

文献信息

• Bis(5-phenyltetrazol-2-yl)methane
  作者：Alexander S. Lyakhov、Pavel N. Gaponik、Yuri V. Grigoriev、Ludmila S. Ivashkevich

  DOI：10.1107/s0108270102008466

  日期：2002.7.15

  In the title compound, alternatively named 5,5'-diphenyl-2,2'-methyleneditetrazole, C15H12N8, the dihedral angles between the tetrazole and benzene rings in the two 5-phenyltetrazole fragments are 2.45 (6) and 10.01 (9)degrees. There is weak intermolecular C-H...N hydrogen bonding involving the H atoms of the methylene groups, which is responsible for the formation of two-membered aggregates. C-H...pi interactions in the crystal structure are discussed.