(cobalt)(1,2-bis(3-pyridylcarboxamide)benzene)2(thiocyanate)2(methanol)2 | 1096033-82-7

• 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: (cobalt)(1,2-bis(3-pyridylcarboxamide)benzene)2(thiocyanate)2(methanol)2
• 英文别名: Co(S-thiocyanato)2(1,2-bis(3-pyridylcarboxamide)benzene)2(CH3OH)2；Co(1,2-bis(3-pyridylcarboxamide)benzene)2(NCS)2(CH3OH)2
• CAS: 1096033-82-7
• 化学式: C₄₀H₃₆CoN₁₀O₆S₂
• 分子量: 875.914
• InChiKey: JJWGANNVEGAALL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (cobalt)(1,2-bis(3-pyridylcarboxamide)benzene)2(thiocyanate)2(methanol)2 以 neat (no solvent, solid phase) 为溶剂， 生成 cobalt(II) oxide 、 甲烷
  参考文献：
  名称：

  由手性配体 H2bpb、[Co (H2bpb)2 (NCS)2 (CH3OH)2] (H2bpb = 1, 2-Bis (3-Pyridylcarboxamide)Benzene) 构建的对映体复合物的合成、晶体结构和性质

  摘要：

  制备了六配位钴 (II) 配合物 [Co(H2bpb)2(NCS)2 (CH3OH)2]，其中 H2bpb 为 1, 2-双(3-吡啶基甲酰胺)苯，并通过红外光谱和热学表征分析，并通过X射线分析确定其晶体结构。它在空间群 P-1 的三斜晶系​​中结晶，α = 8.7005(9) Å, b = 9.6114(10) Å, c = 13.767(2) Å, α = 101.393(2), β = 93.185(2) , γ = 114.5180(10), V = 1014.5(2) Å, Z = 1。还研究了配合物的荧光和热性能。

  DOI：

  10.1080/15533170802265699
• 作为产物：
  描述：

  甲醇 、 cobalt(II) sulfate 、 potassium thioacyanate 、 N,N'-1,2-Phenylenebis(3-pyridinecarboxamide) 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 以40%的产率得到(cobalt)(1,2-bis(3-pyridylcarboxamide)benzene)2(thiocyanate)2(methanol)2
  参考文献：
  名称：

  由手性配体 H2bpb、[Co (H2bpb)2 (NCS)2 (CH3OH)2] (H2bpb = 1, 2-Bis (3-Pyridylcarboxamide)Benzene) 构建的对映体复合物的合成、晶体结构和性质

  摘要：

  制备了六配位钴 (II) 配合物 [Co(H2bpb)2(NCS)2 (CH3OH)2]，其中 H2bpb 为 1, 2-双(3-吡啶基甲酰胺)苯，并通过红外光谱和热学表征分析，并通过X射线分析确定其晶体结构。它在空间群 P-1 的三斜晶系​​中结晶，α = 8.7005(9) Å, b = 9.6114(10) Å, c = 13.767(2) Å, α = 101.393(2), β = 93.185(2) , γ = 114.5180(10), V = 1014.5(2) Å, Z = 1。还研究了配合物的荧光和热性能。

  DOI：

  10.1080/15533170802265699

文献信息

• Synthesis, Crystal Structure and Properties of the Enantiotopic Complex Constructed From Chiral Ligand H₂bpb, [Co(H₂bpb)₂(NCS)₂(CH₃OH)₂] (H₂bpb=1,2‐Bis(3‐pyridylcarboxamide)benzene)
  作者：Ping Zhang、Ben‐Lai Wu、Yun‐Yin Niu、Hong‐Yun Zhang、Cao‐Yuan Niu、Hong‐Wei Hou

  DOI：10.1080/15533170701606498

  日期：2007.10.1

  A six-coordinating cobalt () complex, [Co(H(2)bpb)(2)(NCS)(2)(CH3OH)(2)], where H(2)bpb is 1,2-bis(3-pyridylcarboxamide) benzene, was prepared and characterized by IR spectrum and thermal analysis, its crystal structure was determined X-ray analysis. It crystallizes in the triclinic system with space group P-1 with a = 8.7005(9) angstrom, b = 9.6114(10) angstrom, c = 13.767(2) angstrom, alpha = 101.393(2)degrees, beta = 93.185(2)degrees, gamma = 114.5180(10)degrees, V = 1014.5(2) angstrom, Z = 1. Fluorescent and thermal properties of the complex were also investigated.
• Synthesis, Crystal Structure and Properties of the Enantiotopic Complex Constructed From Chiral Ligand H₂bpb, [Co (H₂bpb)₂ (NCS)₂ (CH₃OH)₂] (H₂bpb = 1, 2-Bis (3-pyridylcarboxamide)benzene)
  作者：Ping Zhang、Ben-Lai Wu、Yun-Yin Niu、Hong-Yun Zhang、Cao-Yuan Niu、Hong-Wei Hou

  DOI：10.1080/15533170802255336

  日期：2008.8.5

  A six-coordinating cobalt (center dot) complex, [Co(H(2)bpb)(2) (NCS)(2) (CH3OH)(2)], where H(2)bpb is 1,2-bis(3-pyridylcarboxamide) benzene, was prepared and characterized by IR spectrum and thermal analysis, and its crystal structure was determined by X-ray analysis. It crystallizes in the triclinic system with space group P-1 with a = 8.7005(9) angstrom, b = 9.6114(10) angstrom, c = 13.767(2) angstrom, alpha = 101.393(2)degrees, beta = 93.185(2)degrees, gamma = 114.5180(10)degrees, V = 1014.5(2) angstrom, Z = 1. Fluorescent and thermal properties of the complex were also investigated.