catena-poly[[bis(imidazole-N(3))cadmium(II)]bis(μ-thiocyanato)-S:N;N:S] | 46756-37-0

• 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: catena-poly[[bis(imidazole-N(3))cadmium(II)]bis(μ-thiocyanato)-S:N;N:S]
• 英文别名: [Cd(imidazole)2(thiocyanate)2](n)
• CAS: 46756-37-0
• 化学式: C₈H₈CdN₆S₂
• 分子量: 364.734
• InChiKey: NATNNBMVMKSETN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  咪唑 、 cadmium(II) thiocyanate 以 乙醇 、 水 为溶剂， 以86%的产率得到catena-poly[[bis(imidazole-N(3))cadmium(II)]bis(μ-thiocyanato)-S:N;N:S]
  参考文献：
  名称：

  catena-Poly[[bis(imidazole-N³)cadmium(II)]-bis(μ-thiocyanato)-S:N;N:S]

  摘要：

  The title polymeric complex, [Cd(SCN)(2)(C3H4N2)(2)](n), exhibits an infinite chain structure in which each pair of Cd atoms is bridged by two eta-1,3-SCN- groups. The unique Cd atom lies on an inversion centre and the coordination sphere is completed by two imidazole N atoms to form a CdS2N4 octahedron. The polymeric chains are further extended into two-dimensional sheets via N-H ... S hydrogen bonds between the uncoordinated imidazole N atoms and the SCN- groups.

  DOI：

  10.1107/s0108270199011075

文献信息

• Polymeric end-to-end bibridged cadmium(II)thiocyanates containing monodentate and bidentate N-donor organic blockers: supramolecular synthons based on π–π and/or C–H⋯π interactions
  作者：Doyel Bose、Jaya Banerjee、Sk Hafijur Rahaman、Golam Mostafa、Hoong-Kun Fun、Rosa D. Bailey Walsh、Michael J. Zaworotko、Barindra Kumar Ghosh

  DOI：10.1016/j.poly.2004.04.035

  日期：2004.7

  Treatment of Cd(NO3)(2) (.) 4H(2)O with two equivalents of NH4NCS in combination with two equivalents of imH [imH = imidazole] or one equivalent of pfan [pfan = ((pyridin-2-yl)formylidene)aniline] results neutral ID polymers of the type [Cd(imH)(2)(NCS)(SCN)](n) (1) or [Cd(pfan)(NCS)(SCN)](n) (2). X-ray structure determinations show that in both polynuclear I and 2, octahedral Cd-II ions occupy centre of symmetry with a CdN4S2 chromophore. The metal ions are linked through N and S atoms of NCS- alternately in doubly bridged end-to-end fashion; two mutually trans N atoms of monodentate imH units complete hexacoordination of each metal centre in 1. Similar NCS-bibridging chain is present in 2 with one bidentate (N,N) Schiff base chelator (pfan) in cis orientation. The I D chains in I are further engaged in intermolecular hydrogen bonding (N-(HS)-S-...) between N of imH and coordinated S of NCS- along with aromatic pi-pi stacking of imH moieties that constrain the I D chains to lie in be-plane, which are further linked via C-H(...)pi interactions. In 2, ID chains participate in two kinds of pi-pi interactions. Supramers I and 2 display intraligand(1) (pi-pi*) fluorescence and intraligand phosphorescence in glassy solutions (MeOH at 77 K). (C) 2004 Elsevier Ltd. All rights reserved.