poly[(μ2-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ2-nitrato-silver(I)] | 1156005-47-8

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: poly[(μ2-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ2-nitrato-silver(I)]
• CAS: 1156005-47-8
• 化学式: Ag*C₇H₁₀N₂*NO₃
• 分子量: 292.043
• InChiKey: PMJKNIFHWZKCIA-UHFFFAOYSA-N

物化性质

• 熔点：
  168 °C (decomp)

计算性质

• 辛醇/水分配系数(LogP)：
  1.61
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  74.92
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  1,3-二异氰基-2,2-二甲基-丙烷 、 silver nitrate 以 乙醇 为溶剂， 以90%的产率得到poly[(μ2-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ2-nitrato-silver(I)]
  参考文献：
  名称：

  Poly[(μ₂-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ₂-nitrato-silver(I)]: a powder study

  摘要：

  In order to investigate the effect of counter-anions on the polymeric structure of (2,2-dimethylpropane-1,3-diyl diisocyanide)silver(I) complexes, the novel title polymeric compound, [Ag(NO(3))(C(7)H(10)N(2))](n), has been synthesized. The crystal structure was determined by simulated annealing from X-ray powder diffraction data collected at room temperature. The current structure is similar to the recently reported structure of the analogue with chloride replacing nitrate. This study illustrates that both the chloride and nitrate complexes crystallize in the orthorhombic system in the Pbca space group with one monomer in the asymmetric unit, and also gives a strong indication that the counter-anion does not have a considerable effect on the polymeric structure of the complex. The Ag centre lies in a distorted tetrahedral environment and is bonded to two 2,2-dimethylpropane-1,3-diyl diisocyanide ligands to form chains. The nitrate anions crosslink the Ag centres of the chains to form a two-dimensional polymeric network structure.

  DOI：

  10.1107/s0108270108005143