tetraethylammonium 1,1,2,4,5,5-hexacyano-3-azapentadienide | 80645-61-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tetraethylammonium 1,1,2,4,5,5-hexacyano-3-azapentadienide
• 英文别名: imino-bis-ethenetricarbonitrile; tetraethylammonium salt；Imino-bis-aethentricarbonitril; Tetraaethylammonium-Salz；[2,3-Dicyano-3-(1,2,2-tricyanoethenylimino)prop-1-enylidene]azanide;tetraethylazanium
• CAS: 80645-61-0
• 化学式: C₈H₂₀N*C₁₀N₇
• 分子量: 348.41
• InChiKey: RIORXXSRCYCZGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.89
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  156.84
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  tetraethylammonium 1,1,2,4,5,5-hexacyano-3-azapentadienide 、 silver nitrate 以 水 、 丙酮 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  Comparison of the properties of the 1,1,2,4,5,5-hexacyano-3-aza-penta-1,4-dienide[(NC)2CC(CN)NC(CN)C(CN)2] unit as anion and as ligand. Crystal structures of (Et4N)(C10N7) and [{Ag(C10N7)}∞]

  摘要：

  The previously reported compounds, Et(4)N(C10N7), 1, and [(Ag(C10N7)}(infinity)], 2, have been structurally characterized by X-ray diffraction. The C10N7 unit acts in 1 as a monoanion and in 2 as a sophisticated bridging ligand (via the nitrogen atoms of its four external cyanogroups) leading to a structure with two crystallographically distinct silver cations. The first one has an usual pseudo-tetrahedral coordination, the second one presents an unexpected square planar coordination which is discussed. The geometry of the organic fragment is only slightly modified upon coordination: in both cases, the C10N7 unit is essentially planar with central CN bond lengths of 1.317(4) and 1.334(4) Angstrom in 1, 1.33(1) and 1.34(1) Angstrom in 2 and CNC angles of 128.3(3) in 1 and 129.2(9)degrees in 2. In benzonitrile solutions, the C10N7 anion shows two one electron diffusion-controlled reversible reduction processes, the first one leading to the radical species [(C10N7)(.)](2-) characterized by ESR.

  DOI：

  10.1016/0277-5387(95)00255-q
• 作为产物：
  描述：

  氨 、 四氰基乙烯 在 tetraethyl ammonium halogenide 作用下， 以 丙酮 为溶剂， 生成 tetraethylammonium 1,1,2,4,5,5-hexacyano-3-azapentadienide
  参考文献：
  名称：

  Cyanocarbon Chemistry. V.¹ Cyanocarbon Acids and their Salts

  摘要：

  DOI：

  10.1021/ja01544a055

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D1, 12.6, page 112 - 117
  作者：

  DOI：——

  日期：——
• Organocyanide coordination chemistry: Syntheses, structural characterisations and magnetic properties of copper (II) complexes with a di-imine/pyridine ligand
  作者：Benoıˆt Le Gall、Françoise Conan、Nathalie Cosquer、Jean-Michel Kerbaol、Jean Sala-Pala、Marek M. Kubicki、Estelle Vigier、Carlos J. Gomez-Garcia、Philippe Molinié

  DOI：10.1016/j.ica.2005.02.011

  日期：2005.5

  The reactions between the copper (11) salts [CuXL]PF6 (L: 2,6-[1-(2,6-d iisopropylphenylimino)ethyl]pyridine) (X = Cl 1, X = Br 2) and LiTCNQ, in a DMF/water mixture, or Et3NH(TCNQ)(2), in acetone, produced the new complexes [CuXL(TCNQ)] (X = Cl 3, X = Br 4). For both compounds, crystallographic studies have clearly evidenced the existence of dimeric complexes [CuClL}(TCNQ)](2) owing to pi-pi overlap between two adjacent TCNQ(center dot-) radical anions. Compound 1 reacted with Et4N(C10N7) to afford the mononuclear derivative [CuC1L(C10N7)] (5), while its reaction with K2C10N6 produced the dinuclear complex [(CuClL)(2)(C10N6)] (6). The crystal structures of complexes 5 and 6 have been determined by X-ray crystallography. Magnetic studies have revealed that compound 6 displays weak antiferromagnetic interactions between the two metal centres, conversely compounds 3 and 5 exhibit purely paramagnetic behaviours. (c) 2005 Elsevier B.V.. All rights reserved.