(μ-2,2'-bipyrimidine)(NO3)4Cu(II)2}n | 94491-58-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (μ-2,2'-bipyrimidine)(NO3)4Cu(II)2}n
• 英文别名: Cu(2,2'-bipyrimidine)(NO3)4
• CAS: 94491-58-4
• 化学式: C₈H₆N₄*2Cu*4NO₃
• 分子量: 533.274
• InChiKey: NFMPAIROZLIHAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.69
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  117.76
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (μ-2,2'-bipyrimidine)(NO3)4Cu(II)2}n 在 NaN₃ 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  [Cu2（bpym）（N3）4]（bpym = 2,2'-联嘧啶）的合成，晶体结构和磁性

  摘要：

  摘要合成了[Cu 2（bpym）（N 3）4]（bpym = 2,2'-联嘧啶）的化合物，并通过X射线衍射法测定了其晶体结构。它在单斜空间群P 2 1 / n中以晶胞常数结晶：a = 10.071（2），b = 6.376（1），c = 11.617（2）A和β= 95.93（1）°；V = 742.0（2）A 3，D（计算，Z = 2）= 2.029 g cm -3，M r = 453.4，F（000）= 448，λ（MoKα）= 0.71073 A，μ（MoKα ）＝ 29.1cm -1，T ＝ 298K。在3⩽2θ⩽55°范围内收集了总共2027次反射。其中，有1723个是唯一的，观察到的有1427个（I>3σ（I）），并用于结构分析。最终的R和R w残差分别为0.0275和0.0328。该结构由双核Cu II 2（bpym）单元组成，这些单元通过叠氮基团保持在一起，形成2D聚合物。

  DOI：

  10.1016/s0020-1693(00)85607-8
• 作为产物：
  描述：

  2 2'-联嘧啶 以 水 为溶剂， 生成 (μ-2,2'-bipyrimidine)(NO3)4Cu(II)2}n
  参考文献：
  名称：

  De Munno, Giovanni; Poerio, Teresa; Julve, Miguel, Journal of the Chemical Society, Dalton Transactions

  摘要：

  DOI：

文献信息

• Syntheses, crystal structures and electronic properties of [Cu(bipym)(C₅O₅)(H₂O₂]·H₂O and [Cu₂(bipym)(C₅O₅)₂(H₂O)₂·4H₂O (bipym = 2,2′-bipyrimidine)
  作者：Isabel Castro、Jorunn Sletten、Lisbeth K. Glærum、Francesc Lloret、Juan Faus、Miguel Julve

  DOI：10.1039/dt9940002777

  日期：——

  separation is 5.384 Å. The croconate group acts as a bidentate ligand in both complexes whereas bipym adopts the chelating and bis(chelating) co-ordination modes in 1 and 2, respectively. The temperature dependence of the magnetic susceptibility of 2 reveals the occurrence of a relatively strong intramolecular antiferromagnetic coupling, J(singlet-triplet energy gap)=–160 cm–1. This value is compared

  两个新的络合物[Cu（bipym）（C 5 O 5）（H 2 O）2 ·H 2 O 1和[Cu 2（bipym）（C 5 O 5）2（H 2 O）2 ]·4H 2 O 2 [bipym = 2,2'-bipyrimidine和C 5 O 5 2– = croconic酸（4,5-二羟基环戊-4-烯-1,2,3-三酮）的二价阴离子]的合成和光谱分析和表征X射线衍射法。1和2的晶体是三斜晶系，空间群p，一个= 6.604（1），b = 9.491（1），C ^ = 12.019（1）Aα= 88.37（1），β= 79.77（1）中，γ= 86.08（1）°和Ž = 2 1，和一＝ 6.638（1），b＝ 8.765（2），c＝ 10.093（2）Å，α＝ 95.96（2），β＝ 93.11（2），γ＝ 91.73（2）°，Z＝ 1（对于2）。化合物1由单核[Cu（bipym）（C 5 O 5）（H
• Syntheses, crystal structures and electronic properties of [Cu(bipym)(C₄O₄)(H₂O)₃]·2H₂O and [Cu₂(bipym)(C₄O₄)₂(H₂O)₆](bipym = 2,2′-bipyrimidine)
  作者：Isabel Castro、Jorunn Sletten、Lisbeth K. Glærum、Juan Cano、Francesc Lloret、Juan Faus、Miguel Julve

  DOI：10.1039/dt9950003207

  日期：——

  Two new mixed-ligand complexes [Cu(bipym)(C4O4)(H2O)(3)]. 2H(2)O 1 and [Cu-2(bipym)(C4O4)(2)(H2O)(6)] 2 [bipym = 2.2'-bipyrimidine and C4O42- = dianion of squaric acid (3,4-dihydroxycyclobut-3-ene-1,2-dione)] have been obtained from aqueous solutions containing Cu(NO3)(3) . 3H(2)O, bipym and Li-2[C4O4] in 1:1:0.25 and 2:1:0.5 (Cu2+:bipym:C4O42-) molar ratio, respectively. The structures of both complexes have been characterized by single-crystal X-ray analysis. Compound 1 consists of mononuclear [Cu(bipym)(C4O4)(H2O)(3)] units in which the copper atom exhibits a slightly distorted elongated-octahedral co-ordination with two bipym nitrogens, one squarate oxygen and one water oxygen forming the equatorial plane, and two water molecules in the axial positions. The structure of 2 is built by centrosymmetric- bipym-bridged dinuclear [Cu-2(bipym)(C4O4)(2)(H2O)(6)] units, the geometry of each copper atom being similar to that found in 1. Squarate acts as a monodentate ligand in both compounds whereas bipym exhibits chelating and bis(chelating) co-ordination modes in 1 and 2, respectively. The intramolecular metal-metal separation in 2 [5.542(1) Angstrom] is the largest found in bipym-bridged copper(ii) complexes. The magnetic behaviour of 2 has been investigated over the temperature range 10-300 K. Fitting of the magnetic susceptibility data for 2 by a simple Bleaney-Bowers expression yields a value for the singlet-triplet energy gap (J) of -139 cm(-1). The magnitude of the observed antiferromagnetic interaction is the smallest found in bipym-bridged copper(II) complexes for which the sigma in-plane exchange pathway is operative. Extended-Huckel calculations have been used to analyse how the magnitude of the exchange coupling is influenced by small structural distortions in this family of complexes.
• Synthesis, crystal structure and magnetic properties of the first single azido-bridged copper(II) chain [Cu(bpym) (N32]n (bpym + 2,2′-bipyrimidine)
  作者：Giovanni De Munno、Maria Grazia Lombardi、Paola Paoli、Francesc Lloret、Miguel Julve

  DOI：10.1016/s0020-1693(98)00238-2

  日期：1998.11

  Single crystals of the copper(II) chain of formula [Cu(bpym) (N-3)(2)](n) (bpym = 2,2'-bipyrimidine) were prepared and characterized by X-ray diffraction methods. The structure consists of neutral chains of copper( II) ions bridged by a single azide group exhibiting the asymmetric end-to-end coordination mode. A terminally bound azide ligand and a didentate bpym group complete the square pyramidal geometry of the metal atom. The intrachain copper-copper separation is 5.063(1) A. The magnetic behaviour was investigated in the temperature range 2.0-290 K. The susceptibility curve exhibits a maximum at 4.9 ii showing the occurrence of a weak intrachain antiferromagnetic coupling. Analysis of the magnetic data using the Heisenberg uniform linear chain model ((H) over cap= -J Sigma (S) over cap(i) .(S) over cap(i+1) ) leads to J= -3.8 cm(-1) and g= 2.12. The value of magnetic coupling of this compound is compared with that observed in the parent double end-to-end azido-bridged dinuclear copper(ll) complexes. (C) 1998 Elsevier Science S.A. All rights reserved.