3-Pyridincarbonsaeure-(4-pyridylmethylen)-hydrazid | 15017-26-2

• 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: 3-Pyridincarbonsaeure-(4-pyridylmethylen)-hydrazid
• 英文别名: nicotinic acid-([4]pyridylmethylene-hydrazide)；Nicotinsaeure-([4]pyridylmethylen-hydrazid)；N'-[(E)-pyridin-4-ylmethylidene]pyridine-3-carbohydrazide；N-[(E)-pyridin-4-ylmethylideneamino]pyridine-3-carboxamide
• CAS: 15017-26-2
• 化学式: C₁₂H₁₀N₄O
• 分子量: 226.238
• InChiKey: CVVWKZPOWLJYJW-OVCLIPMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Pyridincarbonsaeure-(4-pyridylmethylen)-hydrazid 、 汞(II)碘化物 以 甲醇 为溶剂， 以81%的产率得到
  参考文献：
  名称：

  Structural diversity in mercury(II) coordination complexes with asymmetrical hydrazone-based ligands derived from pyridine

  摘要：

  Three novel Hg(II) complexes 1-3 of asymmetrical hydrazone-pyridine based ligands, L-1-L-3, with distinct coordination structures have been prepared and characterized by a single crystal X-ray diffraction, elemental and thermal analysis, and IR spectroscopy. The complexes form either discrete units with one (1) or two (2) organic ligands, or one-dimensional polymers (3). Hence the ligands can be regarded as chelating (1), mono-dentate (2) or bridging (3) agents. The mercury center is essentially neutralized in each complex by two iodide anions. The coordination in complexes 2 and 3 adopts deformed tetrahedral shapes. In contrast the Hg(II) cation in complex 1 binds three coplanar ligating atoms (O,N,N) and, as with pincer ligands, its coordination polyhedron is supplemented with two I- anions in apical positions. The structural diversity in these complexes is strongly influenced by the position of N atom in pyridine derived moieties. The crystal structure is stabilized by N/O-H center dot center dot center dot N/O/I hydrogen bonds and pi center dot center dot center dot pi interactions. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2015.02.016
• 作为产物：
  描述：

  4-吡啶甲醛 、 3-吡啶甲酰肼 生成 3-Pyridincarbonsaeure-(4-pyridylmethylen)-hydrazid
  参考文献：
  名称：

  Kakimoto; Yamamoto, Pharmaceutical Bulletin, 1956, vol. 4, p. 4

  摘要：

  DOI：