4',5'-diaza-9'-(4,5-bis(butylthio)-1,3-thiol-2-ylidene)fluorene | 184360-19-8

• 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: 4',5'-diaza-9'-(4,5-bis(butylthio)-1,3-thiol-2-ylidene)fluorene
• 英文别名: 8-[4,5-Bis(butylsulfanyl)-1,3-dithiol-2-ylidene]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene；8-[4,5-bis(butylsulfanyl)-1,3-dithiol-2-ylidene]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• CAS: 184360-19-8
• 化学式: C₂₂H₂₄N₂S₄
• 分子量: 444.71
• InChiKey: PYAPNYGRPWQKFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  高氯酸银水合物 、 二氯甲烷 、 4',5'-diaza-9'-(4,5-bis(butylthio)-1,3-thiol-2-ylidene)fluorene 以 二氯甲烷 、 乙腈 为溶剂， 以60%的产率得到[Ag(4',5'-diaza-9'-(4,5-bis(butylthio)-1,3-thiol-2-ylidene)fluorene)2]ClO4*CH2Cl2
  参考文献：
  名称：

  π⋯π Interaction assembled silver(I) complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene)fluorene

  摘要：

  Six silver(I) complexes with a new type of ligand, 4',5'-diaza-9'-(4,5-disubstituted-1,3-dithiol-2-ylidene)fluorene (L-n, n = 1, Me; 2, Et; 3, Bu substituted) have been obtained. Two of the complexes [Ag(L-1)(2)]ClO4 (1) and [Ag(L-1)(2)]SO3CF3 (4) have been structurally characterized by single-crystal X-ray diffraction. All of the Ag(I) ions are coordinated linearly by two ligands and the cations take planar structures. These planes are further assembled into one dimensional columns by Ag-Ag weak bonds, pi-pi stacking and (AgN)-N-... interactions. The UV-Vis and fluorescence spectra of the complexes were studied and the ligand-centered energy levels are not changed dramatically when the complexes are formed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.07.007

文献信息

• π⋯π Interaction assembled silver(I) complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene)fluorene
  作者：Qin-Yu Zhu、Jie Dai、Ding-Xian Jia、Li-Hui Cao、Hai-Hong Lin

  DOI：10.1016/j.poly.2004.07.007

  日期：2004.9

  Six silver(I) complexes with a new type of ligand, 4',5'-diaza-9'-(4,5-disubstituted-1,3-dithiol-2-ylidene)fluorene (L-n, n = 1, Me; 2, Et; 3, Bu substituted) have been obtained. Two of the complexes [Ag(L-1)(2)]ClO4 (1) and [Ag(L-1)(2)]SO3CF3 (4) have been structurally characterized by single-crystal X-ray diffraction. All of the Ag(I) ions are coordinated linearly by two ligands and the cations take planar structures. These planes are further assembled into one dimensional columns by Ag-Ag weak bonds, pi-pi stacking and (AgN)-N-... interactions. The UV-Vis and fluorescence spectra of the complexes were studied and the ligand-centered energy levels are not changed dramatically when the complexes are formed. (C) 2004 Elsevier Ltd. All rights reserved.