N^'2,N^'6-bis(m-nitrobenzylidene)pyridine-2,6-dicarbohydrazide

• 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: N^'2,N^'6-bis(m-nitrobenzylidene)pyridine-2,6-dicarbohydrazide
• 英文别名: N2,N6-bis[(E)-(3-nitrophenyl)methyleneamino]pyridine-2,6-dicarboxamide；2-N,6-N-bis[(E)-(3-nitrophenyl)methylideneamino]pyridine-2,6-dicarboxamide
• 化学式: C₂₁H₁₅N₇O₆
• 分子量: 461.393
• InChiKey: GYRFLZPUNLQWGA-FWSOMWAYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  187
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  吡啶-2,6-二甲酸二酰肼 、 间硝基苯甲醛 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 10.0h， 以85.5%的产率得到N^'2,N^'6-bis(m-nitrobenzylidene)pyridine-2,6-dicarbohydrazide
  参考文献：
  名称：

  Synthesis, Characterization, and Crystal Structures of N′²,N′⁶-Bis(benzylidene) pyridine-2,6-Dicarbohydrazide Derivatives

  摘要：

  N-2,N-6-bis(m-nitrobenzylidene)pyridine-2,6-dicarbohydrazid (a), N-2,N-6-bis(p-nitro benzylidene)pyridine-2,6-dicarbohydrazid (b), and N-2,N-6-bis(p-chlorobenzylidene) pyridine-2,6-dicarbohydrazid (c) were synthesized and characterized by H-1 NMR, Mass Spectroscopy, and Infrared Spectroscopy. The single crystals of compound C27H29N9O11 (1), C27H29N9O11 (2), and C21H15Cl2N5O4 (3) were characterized by X-ray single-crystal diffraction analysis. The crystal structure analysis revealed that compound 1 crystallizes in a monoclinic system, space group C2/c, a = 24.6504(10) angstrom, b = 10.4624(6) angstrom, c = 14.4850(6) angstrom. The compound 2 crystallizes in monoclinic system, space group C2/c, a = 24.6505(9) angstrom, b = 10.4618(4) angstrom, c = 14.4946(5) angstrom. The compound 3 crystallizes in a monoclinic system, space group P2 (1)/n, a = 8.6377(9) angstrom, b = 14.4815(15) angstrom, c = 17.6598(19) angstrom.

  DOI：

  10.1080/15421406.2013.803825