| 1354793-30-8

• CAS: 1354793-30-8
• 化学式: C₁₃H₁₂CoNS₂
• 分子量: 305.37
• InChiKey: FOJXZIATNWVJQY-XTKZWJJBSA-L

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：

  3,5-二叔丁基水杨醛 、 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Syntheses and structural diversity of salicylideneaniline derivatives with cobaltadithiolene backbone

  摘要：

  Salicylideneaniline (SA) or benzylideneaniline (BA) derivatives with [CpCo(dithiolene)] backbone, which are formulated as [CpCo(S2C2(H)(R))] (R = 5-chlorosalicylideneaniline (2a), salicylideneaniline (2b), benzylideneaniline (2c) and 3,5-di-t-butylsalicylideneaniline (2d)), were prepared from the aniline precursor [CpCo(S2C2(H)(C6H4-NH2))] (1) and the corresponding aldehydes. 1 and 2a-2d were identified with spectral data and electrochemical redox potentials. 1 and 2a-2c were structurally determined by X-ray diffraction studies. 1 and 2a showed dithiolene-H center dot center dot center dot X hydrogen bondings (X = N (1), O (2a)), because the dithiolene proton is usually acidic (ca. 9 ppm by H-1 NMR). In 2a-2c, the dihedral angles between two benzene rings (0(1)) in the SA (or BA) moieties were depending on the substituents on these benzene rings. 2a has small 0(1) angle (7.321 degrees) and the result indicates a short intramolecular OH center dot center dot center dot N hydrogen bonding distance (1.743 angstrom). In the crystal of 2b (or 2c), there are two (or four) crystallographically independent molecules, and their 0(1) angles are different by the flexible SA (or BA) unit. The crystal 2b contains a non-planar molecule (0(1) = 37.043) and a relatively planar molecule (0(1) = 22.822 degrees) as well. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.11.027
• 作为产物：
  描述：

  1,2,3,4,5,6,7,8-八硫杂环辛烷 、 carbon monoxide,cobalt,cyclopenta-1,3-diene 、 4-乙炔基苯胺 以 苯 为溶剂， 以10%的产率得到
  参考文献：
  名称：

  Syntheses and structural diversity of salicylideneaniline derivatives with cobaltadithiolene backbone

  摘要：

  Salicylideneaniline (SA) or benzylideneaniline (BA) derivatives with [CpCo(dithiolene)] backbone, which are formulated as [CpCo(S2C2(H)(R))] (R = 5-chlorosalicylideneaniline (2a), salicylideneaniline (2b), benzylideneaniline (2c) and 3,5-di-t-butylsalicylideneaniline (2d)), were prepared from the aniline precursor [CpCo(S2C2(H)(C6H4-NH2))] (1) and the corresponding aldehydes. 1 and 2a-2d were identified with spectral data and electrochemical redox potentials. 1 and 2a-2c were structurally determined by X-ray diffraction studies. 1 and 2a showed dithiolene-H center dot center dot center dot X hydrogen bondings (X = N (1), O (2a)), because the dithiolene proton is usually acidic (ca. 9 ppm by H-1 NMR). In 2a-2c, the dihedral angles between two benzene rings (0(1)) in the SA (or BA) moieties were depending on the substituents on these benzene rings. 2a has small 0(1) angle (7.321 degrees) and the result indicates a short intramolecular OH center dot center dot center dot N hydrogen bonding distance (1.743 angstrom). In the crystal of 2b (or 2c), there are two (or four) crystallographically independent molecules, and their 0(1) angles are different by the flexible SA (or BA) unit. The crystal 2b contains a non-planar molecule (0(1) = 37.043) and a relatively planar molecule (0(1) = 22.822 degrees) as well. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.11.027