[Mn(2-hydroxypyridine)2(μ-1,3-N3)2]n | 200942-21-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: [Mn(2-hydroxypyridine)2(μ-1,3-N3)2]n
• 英文别名: manganese(2+);1H-pyridin-2-one;diazide
• CAS: 200942-21-8
• 化学式: C₁₀H₁₀MnN₈O₂
• 分子量: 329.18
• InChiKey: RPNHHXXKXKPRJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.48
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-羟基吡啶 、 manganese(II) chloride tetrahydrate 、 sodium azide 以 乙醇 、 水 为溶剂， 生成 [Mn(2-hydroxypyridine)2(μ-1,3-N3)2]n
  参考文献：
  名称：

  Antiferromagnetic Alternating and Homogeneous Manganese−Azido Chains:  Structural Characterization and Magnetic Behavior of Two New One-Dimensional [Mn(L)₂(μ_1,3-N₃)₂]_n Compounds (L = 3-Ethylpyridine and 2-Hydroxypyridine)

  摘要：

  The X-ray structures of the two monodimensional systems of formula [Mn(L)(2)(N-3)(2)](n) in which L = 3-ethylpyridine (1) or 2-hydroxypyridine (2) have been determined. Crystal data: 1, formula C14H18MnN8, monoclinic P2(1)/n, a = 10.210(5) Angstrom, b = 15.460(6) Angstrom, c = 10.880(4) Angstrom, beta = 95.86(3)degrees, Z = 4; 2, formula C10H18MnN8O2, triclinic P (1) over bar, a = 5.218(2) Angstrom, b = 6.841(3) Angstrom, c = 9.469(4) Angstrom, alpha = 79.30(4)degrees, beta = 87.85(4)degrees, gamma = 75.85(4)degrees, Z = 1. The two compounds consist of chains of manganese atoms bridged by double end-to-end azido bridges. 1 consists of a structurally and magnetically alternated chain whereas 2 is a homogeneous system. Magnetic measurements show antiferromagnetic interaction with J values -13.8/-11.7 and -7.0 cm(-1) for 1 and 2, respectively. The deformation of the Mn(N-3)(2) eight-membered lines from planarity to chair conformation has been correlated to the magnitude of the antiferromagnetic coupling constant by means of extended Huckel MO calculations.

  DOI：

  10.1021/ic971023q