catena-poly[[(di-2-pyridylamine-κ2N,N')silver(I)]-mu.-2,6-dihydroxybenzoato-κ2O1:O2] | 849482-09-3

• 分子结构分类: 有机化合物
• 英文名称: catena-poly[[(di-2-pyridylamine-κ2N,N')silver(I)]-mu.-2,6-dihydroxybenzoato-κ2O1:O2]
• 英文别名: catena-poly[[(di-2-pyridylamine)silver(I)]-μ-2,6-dihydroxybenzoato]；silver;2-carboxy-3-hydroxyphenolate;N-pyridin-2-ylpyridin-2-amine
• CAS: 849482-09-3
• 化学式: C₁₇H₁₄AgN₃O₄
• 分子量: 432.184
• InChiKey: JLMVRYMUCPCPAA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 重原子数：
  25
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,2'-二吡啶胺 、 2,6-二羟基苯甲酸 、 silver nitrate 以 甲醇 、 水 为溶剂， 生成 catena-poly[[(di-2-pyridylamine-κ2N,N')silver(I)]-mu.-2,6-dihydroxybenzoato-κ2O1:O2]
  参考文献：
  名称：

  catena-Poly[[(di-2-pyridylamine)silver(I)]-μ-nicotinato] andcatena-poly[[(di-2-pyridylamine)silver(I)]-μ-2,6-dihydroxybenzoato]

  摘要：

  In catena-poly[[(di-2-pyridylamine-kappa(2) N,N') silver(I)]-mu-nicotinato-kappa(2) N: O], [Ag(C6H4NO2)(C10H9N3)](n), the Ag-I atom is tetracoordinated by two N atoms from the di-2-pyridylamine (BPA) ligand [Ag - N = 2.3785 (18) and 2.3298 (18) Angstrom] and by one N atom and one carboxylate O atom from nicotinate ligands [Ag - N = 2.2827 (15) Angstrom and Ag - O = 2.3636 (14) Angstrom]. Bridging by nicotinate N and O atoms generates a polymeric chain structure, which extends along [100]. The carboxyl O atom not bonded to the Ag atom takes part in an intrachain C - H ... O hydrogen bond, further stabilizing the chain. Pairs of chains are linked by N - H ... O hydrogen bonds to generate ribbons. There are no pi-pi interactions in this complex. In catena-poly[[(di-2-pyridylamine-kappa(2) N,N') silver(I)]-mu-2,6-dihydroxybenzoato-kappa(2) O-1: O-2], [Ag(C7H5O4)(C10H9N3)](n), the Ag I atom has a distorted tetrahedral coordination, with three strong bonds to two pyridine N atoms from the BPA ligand [Ag - N = 2.286 (5) and 2.320 (5) Angstrom] and to one carboxylate O atom from the 2,6-dihydroxybenzoate ligand [Ag - O = 2.222 (4) Angstrom]; the fourth, weaker, Ag-atom coordination is to one of the phenol O atoms [Ag ... O = 2.703 (4) Angstrom] of an adjacent moiety, and this interaction generates a polymeric chain along [ 100]. Pairs of chains are linked about inversion centers by N - H...O hydrogen bonds to form ribbons, within which there are pi-pi interactions. The ribbons are linked about inversion centers by pairs of C - H ... O hydrogen bonds and additional pi-pi interactions between inversion-related pairs of 2,6-dihydroxybenzoate ligands to generate a three-dimensional network.

  DOI：

  10.1107/s0108270104026502