[VO(1,2-bis(2-pyridinecarboxamide)benzenato(-2))](x) | 165620-25-7

• 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: [VO(1,2-bis(2-pyridinecarboxamide)benzenato(-2))](x)
• CAS: 165620-25-7
• 化学式: C₁₈H₁₂N₄O₂*OV
• 分子量: 383.26
• InChiKey: WNFOMMIJKPKOJG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  105.19
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  N,N-bis(2-pyridinecarboxamide)-1,2-benzene 、 vanadyl acetate 以 N,N-二甲基甲酰胺 为溶剂， 以75%的产率得到[VO(1,2-bis(2-pyridinecarboxamide)benzenato(-2))](x)
  参考文献：
  名称：

  钒-蛋白质相互作用的模型研究：新型钒（III）和氧钒（IV）化合物与二氨基甲酸酯配体1,2-双（2-吡啶甲酰胺）苯（H2bpb）。

  摘要：

  合成了具有二氨基甲酸酯配体1,2-双（2-吡啶甲酰胺）苯（H2bpb）的新型钒（III）和氧钒（IV）化合物，并对其结构进行了表征。H2bpb能够以阴离子（双阴离子-单阴离子）或中性形式与钒结合，形成各种几何形状和化学计量的配合物。NHEt3（反式-[VCl2（bpb）））（1）和[VO（bpb）（H2O）] 05dmso036CH3OH013H2O（6x05dmsox036CH3OHx013H2O）中的双阴离子形式（bpb2-）充当平面四齿双[N-氨基甲酸酯-N -吡啶]赤道配体。单阴离子形式（Hbpb-）在[V（Hbpb）3] 2CHCl3（22CHCl3）和mu 2-bridged-eta 4-（Npy，Oam）中表现为（Npy，Oam）或（Npy，Nam）螯合剂[VOCl（Hbpb）]（2）x2CH3NO2（3x2CH3NO2）中的-Npy，Nam），而中性的H2bpb则表现为mu

  DOI：

  10.1021/ic990837z

文献信息

• Structural and EPR Studies of Vanadium Complexes of Deprotonated Amide Ligands: Effects on the 51V Hyperfine Coupling Constant
  作者：Charles R. Cornman、Edward P. Zovinka、Yvette D. Boyajian、Katherine M. Geiser-Bush、Paul D. Boyle、Phirtu Singh

  DOI：10.1021/ic00120a029

  日期：1995.8

  The effect of amide coordination on the parallel coupling constant has been determined for three square pyramidal vanadyl complexes. The complexes (VO)-O-IV(PAAP), (VO)-O-IV(PAIS), and [(VO)-O-V(HIBA)][C4H9)(4)N] have been prepared, and the tatter two have been structurally characterized (PAAP is the dianion of 1,2-bis(2-carboxamidopyridyl)-benzene, PAIS is the dianion of [N-(salicylideneamine)phenyl]pyridine-2-carboxamide], HIBA is the tetraanion of 1,2-bis(2-hydroxy-2-methylpropanamido)benzene). X-ray diffraction quality crystals of (VO)-O-IV(PAIS> were obtained by slow evaporation of a nitromethane solution of (VO)-O-IV(PAIS). X-ray parameters for (VO)-O-IV(PAIS): C19H13N3O3V1, 382.08 g/mol, P2(1)/n, a = 7.777(3) Angstrom, b = 18.433(7) Angstrom, c = 11,565(4) Angstrom, beta = 102.66(3)degrees; V = 1633(1) Angstrom 3; Z = 4. The final. refinement yielded R = 0.0600 and R(w) = 0.0450. X-ray diffraction quality crystals of [(VO)-O-V(HIBA)][(C4H9)(4)N] were obtained by slow evaporation of a THF-CHCl3 solution of [(VO)-O-V(HIBA)-[[(C4H9)4N]. X-ray parameters for [(VO)-O-V(HIBA)][C4H9)(4)N]: C(30)H(52)N(3)0(5)V(1), 585.69 g/mol, P2(1)/n; a 13.228(3) Angstrom, b = 16.054(4) Angstrom, c = 14.7140(20) Angstrom, beta = 93.240(10)degrees; V = 3119.7(11) Angstrom(3); Z = 4. The final refinement yielded R = 0.051 and R(w) = 0.047. Comparison of calculated and experimental values of A(II) for vanadyl-bleomycin and vanadyl-serum albumin support the presence of a deprotonated amide donor(s) in vanadyl-bleomycin but not in vanadyl-serum albumin.