dichlorobis(nicotinamide)cobalt

• 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: dichlorobis(nicotinamide)cobalt
• 英文别名: [Co(niacinamide)₂Cl₂]；[Co(NAM)₂Cl₂]；[Co(nicotinamide)2Cl2]；Cobalt(2+);pyridine-3-carboxamide;chloride
• 化学式: 2C₆H₆N₂O*2Cl*Co
• 分子量: 374.152
• InChiKey: HGFPUFRFSPKQDZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.82
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  cobalt(II) chloride hexahydrate 、 4-吡啶甲酰胺 以 乙醇 、 水 为溶剂， 生成 dichlorobis(nicotinamide)cobalt
  参考文献：
  名称：

  Cobalt(II) and strontium(II) complexes of three isomers, nicotinamide, isonicotinamide and picolinamide

  摘要：

  Novel coordination structures formed by cobalt(II) and strontium(II) complexes with nicotinamide (na), isonicotinamide (ma) and picolinamide (pa) are reported. The structures of these complexes (CoCl2 center dot(C6- H6N2O)(2)center dot 6H(2)O (Co-na), CoCl2 center dot(C6H6N2O)(2) (Co-ina), CoCl2 center dot(C6H6N2O)(2)center dot 2H(2)O, (Co-pa), SrCl2.(C6H6N2O)(2)center dot 4H(2)O (Sr-na), SrCl2 center dot(C6H6N2O)(2)center dot 3H(2)O (Sr-ina) and SrCl2 center dot C6H6N2O center dot H2O (Sr-pa)) in the solid state have been characterized by X-ray single crystal diffraction, FTIR, FIR, THz, Raman and UV-Vis spectroscopies. Pyridyl nitrogen of nicotinamide is coordinated to Co2+, but pyridyl nitrogen and carbonyl oxygen are used for coordination to Sr2+, and each Sr2+ is coordinated to four ligands. For isonicotinamide, pyridyl nitrogen is coordinated to Co2+, carbonyl oxygen is coordinated to Sr2+ and the ligand is also hydrogen-bonded in Sr-ina. Pyridyl nitrogen and carbonyl oxygen of picolinamide are coordinated to Co2+ to form a five-membered ring structure, but the carbonyl oxygen is coordinated to two Sr2+ ions in Sr-pa. Some of the complexes can form chain or network structures. The experiments results indicate the differences of the coordination of Co and Sr ions, the changes of hydrogen bonds and conformation of the ligands induced by complexation. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2013.11.001

文献信息

• Synthesis, spectroscopy, and characterization of some bis-nicotinamide metal(II) dihalide complexes
  作者：Ahmet Ataç、Şenay Yurdakul、Savas Berber

  DOI：10.1016/j.saa.2011.07.002

  日期：2011.10

  new bis-nicotinamide metal(II) dihalide complexes [M(nia)(2)Cl(2); M = Mn, Co; nia:nicotinamide, M(nia)(2)Br(2); M = Mn, Hg; M(nia)(2)I(2); M = Cd, Cu], and their characterization by combining infrared spectroscopy with density functional theory (DFT) calculations. Infrared spectra indicate that ring-nitrogen is the active donor cite, and the atomic structure of the complexes is determined to be polymeric

  我们报告了六个新的双烟酰胺金属（II）二卤化物配合物的合成[M（nia）（2）Cl（2）; M = Mn，Co; nia：烟酰胺，M（nia）（2）Br（2）; M = Mn，Hg; M（nia）（2）I（2）; M = Cd，Cu]，并结合红外光谱和密度泛函理论（DFT）计算对其进行表征。红外光谱表明，环氮是活性供体，并且该配合物的原子结构被确定为聚合物八面体或扭曲的聚合物八面体。对于Mn，Co和Cu卤化物络合物，获得了自旋极化电子基态。配合物的颜色也支持围绕金属原子进行八面体配位的结论，与DFT结果一致。
• Synthesis, spectral characterization and catalytic activity of Co(II) complexes of drugs: Crystal structure of Co(II)–trimethoprim complex
  作者：Selvaraj Madhupriya、Kuppanagounder P. Elango

  DOI：10.1016/j.saa.2013.08.085

  日期：2014.1

  New Co(II) complexes with drugs such as trimethoprim (TMP), cimetidine (CTD), niacinamide (NAM) and ofloxacin (OFL) as ligands were synthesized. The complexes were characterized by analytical analysis, various spectral techniques such as FT-IR, UV-Vis, magnetic measurements and molar conductivity. The magnetic susceptibility results coupled with the electronic spectra suggested a tetrahedral geometry for the complexes. The coordination mode of trimethoprim ligand and geometry of the complex were confirmed by single crystal X-ray studies. In this complex the metal ion possesses a tetrahedral geometry with two nitrogen atom from two TMP ligands and two chloride ions coordinated to it. The catalytic activity of the complexes in aryl-aryl coupling reaction was screened and the results indicated that among the four complexes [Co(OFL)Cl(H2O)] exhibited excellent catalytic activity. (C) 2013 Elsevier B.V. All rights reserved.
• Cobalt(II) and strontium(II) complexes of three isomers, nicotinamide, isonicotinamide and picolinamide
  作者：Junhui Xue、Xiaohui Hua、Limin Yang、Weihong Li、Yizhuang Xu、Guozhong Zhao、Gaohui Zhang、Liming Liu、Kexin Liu、Jia’er Chen、Jinguang Wu

  DOI：10.1016/j.molstruc.2013.11.001

  日期：2014.2

  Novel coordination structures formed by cobalt(II) and strontium(II) complexes with nicotinamide (na), isonicotinamide (ma) and picolinamide (pa) are reported. The structures of these complexes (CoCl2 center dot(C6- H6N2O)(2)center dot 6H(2)O (Co-na), CoCl2 center dot(C6H6N2O)(2) (Co-ina), CoCl2 center dot(C6H6N2O)(2)center dot 2H(2)O, (Co-pa), SrCl2.(C6H6N2O)(2)center dot 4H(2)O (Sr-na), SrCl2 center dot(C6H6N2O)(2)center dot 3H(2)O (Sr-ina) and SrCl2 center dot C6H6N2O center dot H2O (Sr-pa)) in the solid state have been characterized by X-ray single crystal diffraction, FTIR, FIR, THz, Raman and UV-Vis spectroscopies. Pyridyl nitrogen of nicotinamide is coordinated to Co2+, but pyridyl nitrogen and carbonyl oxygen are used for coordination to Sr2+, and each Sr2+ is coordinated to four ligands. For isonicotinamide, pyridyl nitrogen is coordinated to Co2+, carbonyl oxygen is coordinated to Sr2+ and the ligand is also hydrogen-bonded in Sr-ina. Pyridyl nitrogen and carbonyl oxygen of picolinamide are coordinated to Co2+ to form a five-membered ring structure, but the carbonyl oxygen is coordinated to two Sr2+ ions in Sr-pa. Some of the complexes can form chain or network structures. The experiments results indicate the differences of the coordination of Co and Sr ions, the changes of hydrogen bonds and conformation of the ligands induced by complexation. (C) 2013 Elsevier B.V. All rights reserved.