(13-ethyl-5,7,7-trimethyl-13-nitro-1,4,8,11-tetraazacyclotetradec-4-ene)copper(2+) | 885314-55-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (13-ethyl-5,7,7-trimethyl-13-nitro-1,4,8,11-tetraazacyclotetradec-4-ene)copper(2+)
• CAS: 885314-55-6
• 化学式: C₁₅H₃₁CuN₅O₂
• 分子量: 376.989
• InChiKey: BLAKILXVDQFCJP-HHQIBAFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  tetracyanonickelate(2-) 、 (13-ethyl-5,7,7-trimethyl-13-nitro-1,4,8,11-tetraazacyclotetradec-4-ene)copper(2+) 、 水 以 水 为溶剂， 生成
  参考文献：
  名称：

  A compound of a novel tetraaza-macrocycle with trinuclear tetracyanonickelate-bridged cations

  摘要：

  The cation of the title compound, [Cu(L)](2+), is formed by Michael condensation of (4,6,6-trimethyl-3,7-diazanon-3-ene-1,9-diamine)copper(II) with methanal and nitropropane. This cation forms a tetracyanonickelate(II) compound, the unit cell of which contains two centrosymmetric tetracyanonickelate(II)-bridged trinuclear cations, namely diaqua-1,3kappa(2)O-di-mu-cyano-1:2kappa(2) C:N; 1:3kappa2 C:N-dicyano-1kappa(2) C-bis-(13-ethyl-5,7,7-trimethyl-13-nitro-1,4,8,11-tetraazacyclotetradec-4-ene)-2kappa(4) N-1, N-4, N-8, N-11; 3kappa(4) N-1, N-4, N-8, N-11-dicopper(II)-nickel(II) di-mu-cyano-1:2kappa(2) C:N; 1:3kappa(2) C:N-dicyano-1kappa(2) C-bis-(13-ethyl-5,7,7-trimethyl-13-nitro-1,4,8,11-tetraazacyclotetra-dec-4-ene)-2kappa(4) N-1, N-4, N-8, N-11; 3kappa(4) N-1, N-4, N-8, N-11-dicopper(II)nickel(II) bis[tetracyanonickelate(II)] octahydrate, [Cu2Ni(CN)(4)(C15H31N5O2)(2)(H2O)(2)][Cu2Ni(CN)(4)(C15H31N5O2)(2)][Ni(CN)(4)](2).8H(2)O. One cation, [(L) Cu-NC-Ni(CN)(2)-CN-Cu(L)](2+), has an axially coordinated bridging [Ni(CN)(4)](2-) ion, with a Cu-N distance of 2.226 (3) Angstrom and a Cu-N-C angle of 168.2 (3)degrees. The other cation, [(H2O)(L) Cu-NC-Ni(CN)(2)-CN-Cu(L)(OH2)](2+), has water axially coordinated trans to a weakly bound bridging [Ni(CN)(4)](2-) ion, with a Cu-O distance of 2.396 (3) Angstrom, a Cu-N distance of 2.677 (4) Angstrom, an O-Cu-N angle of 168.7 (1)degrees and a Cu-N-C angle of 137.7 (3)degrees. These cations, plus independent [Ni(CN)(4)](2-) ions and water molecules, are linked into a hydrogen-bonded network. All [Ni(CN)(4)](2-) ions are on centres of symmetry.

  DOI：

  10.1107/s0108270104015483