2-acetylbenzimidazole isonicotinoylhydrazon | 1392691-23-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-acetylbenzimidazole isonicotinoylhydrazon
• CAS: 1392691-23-4
• 化学式: C₁₅H₁₃N₅O
• 分子量: 279.301
• InChiKey: LOPMBOBPYKUOQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.11
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  83.03
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  异烟肼 、 2-乙酰苯并咪唑 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 2-acetylbenzimidazole isonicotinoylhydrazon
  参考文献：
  名称：

  Synthesis and characterization of new NNO ligands and some metal(II) complexes: crystal structures of (BBH)₂Co and (BIH)₂Ni

  摘要：

  The ligands 2-acetylbenzimidazole benzoylhydrazone (HBBH) and 2-acetylbenzimidazole isonicotinoylhydrazone (HBIH) were prepared and characterized by elemental analysis, IR, NMR, and mass spectra. The complexes of these ligands with Co(II), Ni(II), Cu(II), and Zn(II) were prepared by the reaction of methanolic acetate salts with the ligands in methanol in a 1 : 2 metal : ligand mole ratio. M(II)L-2 were characterized based on elemental analysis, IR, NMR, MS, conductance, and electronic spectral measurements. Co(BBH)(2) and Ni(BIH)(2) were crystallographically characterized. They consist of two ligands that give six coordinate bonding to Co(II) and Ni(II) on a meridional plane through benzimidazole ring nitrogen, azomethine nitrogen, and benzoyl or isonicotinoyl oxygen, respectively. Co(BBH)(2) crystallizes in the triclinic space group P (1) over bar and Z = 2 at 150 K with a = 9.9010(3) angstrom, b = 9.9705(4) angstrom, c = 15.8141(6) angstrom, alpha = 96.424(2)degrees, beta = 94.1580(10)degrees, and gamma = 92.153(2)degrees. Ni(BBH)(2) crystallizes in the monoclinic space group P2(1)/n and Z = 4 at 100 K with a = 14.3156(2) angstrom, b = 24.7402(4) angstrom, c = 19.8215(3) angstrom, alpha = 90 degrees, beta = 98.7761(7)degrees, and gamma =90 degrees. The metal centers in these complexes have two ligands in a meridional, slightly distorted octahedron.

  DOI：

  10.1080/00958972.2012.709627