1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, nickel(2+) salt, hexahydrate | 81784-25-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, nickel(2+) salt, hexahydrate
• 英文别名: 1,1-dioxo-1λ6-benz[d]isothiazol-3-one; saccharin; nickel (II)-salt；1,1-dioxo-1λ⁶-benz[d]isothiazol-3-one; saccharin; nickel (II)-salt；1,1-Dioxo-1λ⁶-benz[d]isothiazol-3-on; Saccharin; Nickel(II)-Salz
• CAS: 81784-25-0；114105-36-1
• 化学式: 2C₇H₄NO₃S*5H₂O*Ni
• 分子量: 513.126
• InChiKey: PTXCZOVPEDYJJK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.08
• 重原子数：
  14.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96.81
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, nickel(2+) salt, hexahydrate 在 NH₃ 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: MVol.C2, 8.8, page 885 - 895

  摘要：

  DOI：
• 作为产物：
  描述：

  nickel(II) sulphate 、 saccharin sodium salt 以 水 为溶剂， 生成 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, nickel(2+) salt, hexahydrate
  参考文献：
  名称：

  Defournel, M. H., Bulletin de la Societe Chimique de France, 1901, vol. 25, p. 322 - 329

  摘要：

  DOI：

文献信息

• New saccharinate complexes with 3,3′-azobispyridine ligand: synthesis, characterization, and spectroscopic properties
  作者：Figen Arslan Biçer、Semiha Yildirim、Wolfgang Kaim、Martina Bubrin

  DOI：10.1080/00958972.2017.1360489

  日期：2017.8.18

  Spectroscopic (UV–vis and photoluminescence) and thermal properties were also investigated. Single-crystal X-ray analysis reveals that Ni(II) and Zn(II) are coordinated by four aqua ligands and two nitrogens of 3,3′-abpy, while sac is a counter-ion in 1 and 3. In 2, Cu(II) and all ligands are linked by coordination bonds and 3,3′-abpy ligands connect the Cu(II) centers forming a 1-D coordination polymer

  摘要 糖精(sac)和3,3'-偶氮双吡啶(3,3'-abpy)的新型金属络合物[Ni(H2O)4(3,3'-abpy)2](sac)2(1), [Cu(sac)2( )(μ-3,3'-abpy)]n (2), [Zn( )4(3,3'-abpy)2](sac)2 (3), [ Cd(sac)2( )2(μ-3,3'-abpy)]n (4)和[Hg2(μ-sac)2(sac)2(μ-3,3'-abpy)(3) ,3'-abpy)2]n (5) 被合成并通过红外光谱、元素分析和单晶 X 射线衍射表征。还研究了光谱（UV-vis 和光致发光）和热性能。单晶 X 射线分析表明 Ni(II) 和 Zn(II) 由四个水配体和两个 3,3'-abpy 的氮配位，而 sac 是 1 和 3 中的反离子。在 2 中， Cu(II) 和所有配体通过配位键连接，3,3'-abpy 配体连接 Cu(II)
• Syntheses, characterization and crystal structures of novel amine adducts of metal saccharinates, orotates and salicylates
  作者：Hasan Icbudak、Halis Olmez、Okan Z Yesilel、Figen Arslan、Pance Naumov、Gligor Jovanovski、Abdul Razak Ibrahim、Anwar Usman、Hoong-Kun Fun、Suchada Chantrapromma、Seik Weng Ng

  DOI：10.1016/s0022-2860(03)00404-6

  日期：2003.9

  adducts of ethylenediamine (en), N,N′-dimethylethylenediamine (dmen) and N,N-dimethylethylenediamine (ndmen) with saccharinate, orotate and salicylate as counter-ions were synthesized and characterized with physico-chemical methods (IR and UV/vis spectroscopy, magnetic susceptibility and thermoanalytical measurements) and X-ray diffraction. Reaction of dmen with tetraaquabis(saccharinato-N)copper(II) dihydrate

  摘要 以糖精酸盐、乳清酸盐和水杨酸盐为抗衡离子，合成了 7 种乙二胺 (en)、N,N'-二甲基乙二胺 (dmen) 和 N,N-二甲基乙二胺 (ndmen) 的新型加合物，并用物理化学方法（IR 和紫外/可见光谱、磁化率和热分析测量）和 X 射线衍射。dmen 与 tetraaquabis(saccharinato-N)copper(II) 二水合物反应生成 diaquabis(dmen)copper(II) 糖精，而与相应的镍衍生物反应生成双 (dmen)bis(saccharinato-O)nickel(II)。在铜配合物中，配位水和供体配体的初级氮端与糖精阴离子相互作用 [O1w⋯O3=2.833(2), N1⋯N2=2.992(2) A]。相邻的分子通过两个以上的氢键连接成层状结构。在镍化合物中，dmen 配体还螯合金属原子，金属原子与阴离子基团的羰基氧键合。阴离子的带负电荷的氮
• Transition Metal Promoted Addition of Methanol to Cyanoguanidine. Molecular Structure and Properties of the Generated Copper(II) and Nickel(II) Complexes
  作者：Patricia A. M. Williams、Evelina G. Ferrer、Natalia Baeza、Oscar E. Piro、Eduardo E. Castellano、Enrique J. Baran

  DOI：10.1002/zaac.200500002

  日期：2005.6

  The reaction of the CuII and NiII complexes of saccharin with dicyandiamide (cyanoguanidine, cnge) in methanol produces the addition of methanol to the nitrile moiety of this molecule. Furthermore, the product of the reaction coordinates the metal centers generating two new complexes containing saccharinate as the counter anion. The crystal structures of [Cu(cnge-OCH3)2](sac)2 and of [Ni(cnge-OCH3)2](sac)2·2H2O

  糖精的 CuII 和 NiIII 复合物与双氰胺（氰基胍，cnge）在甲醇中的反应产生甲醇添加到该分子的腈部分。此外，反应产物与金属中心协调，生成两种含有糖精作为抗衡阴离子的新配合物。[Cu(cnge-OCH3)2](sac)2 和 [Ni(cnge-OCH3)2](sac)2·2H2O（cnge-OCH3 = 1-脒基-O-甲基脲）的晶体结构由下式求解单晶 X 射线衍射法。两种配合物都在三斜空间群中结晶，金属阳离子呈现出非常相似的中心对称平面构象。通过电子和红外光谱对配合物进行表征，并研究了它们的磁和热行为。
• ——
  作者：H. Íçbudak、V. T. Yilmaz、H. Ölmez

  DOI：10.1023/a:1010190701136

  日期：——

  The thermal decompositions of Mn(II), Fe(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes of saccharin were studied in static air atmosphere. All of the complexes contain four molecules of coordination water and two molecules of crystallization water. The water molecules were removed in a single stage, except from the Zn(II) complex, which exhibited two endothermic effects. The dehydration process was usually accompanied by a sharp colour change. The anhydrous complexes exhibited a phase transition and the decomposition or combustion of saccharin occurred in the second and subsequent stages. The final decomposition products were identified by XRPD as the respective metal oxides. The kinetic parameters, such as the order of reaction and energy of activation for the dehydration stage, were evaluated and the thermal stabilities of the complexes are discussed.
• Spectroscopic and Thermal Studies of <i>bis</i>(N,N′‐Dimethylethylenediamine) and <i>bis</i>(N,N‐Dimethylethylenediamine)saccharinato Complexes of Co(II), Ni(II), and Cu(II)
  作者：Okan Z. Yeşilel、Hasan İçbudak、Halis Ölmez、Panče Naumov

  DOI：10.1081/sim-120016874

  日期：2003.1.3

  The mixed-ligand saccharin (Hsac) complexes of Co(II), Ni(II) and Cu(II) with N,N'-dimethylethylenediamine (dmen), and N,N-dimethylethylenediamine (ndmen) (Figure 1) were synthesized and characterized by elemental analysis, magnetic susceptibility, spectral (UV-Vis and FTIR) methods, and simultaneous TG, DTG and DTA techniques. The complexes have pseudooctahedral geometries with two dimethylethylenediamine molecules coordinated to the metal ions as chelating ligands through their two nitrogen atoms and two monodentate saccharinato ligands in the trans positions for the complexes of the type [M(sacO)(2)(dmen)(2)] (M = CO(II), Ni(II)), and [M(sac-N)(2)(ndmen)(2)] (M = Co(II), Ni(II), Cu(II)) and two aqua ligands in the trans positions in [Cu(H2O)(2)(dmen)(2)](sac)(2). (sac-O; sac-N = the saccharinato ligand may be coordinated to the metal ions through their carbonyl oxygen or their nitrogen atom, respectively). The decomposition mechanism and thermal stability of the solid complexes are interpreted in terms of their structures. The thermal stability order of the investigated complexes is Cull) > Co(II) > Ni(II) while the bis(N,N',-dimethylethylenediamine) complexes are thermally less stable than those of bis(N,N-dimethylethylenediamine). The final decomposition products-the respective metal oxides-were identified by FT-IR spectroscopy.