bis(imidazolidine-2-thione)gold(I) chloride | 95407-71-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: bis(imidazolidine-2-thione)gold(I) chloride
• 英文别名: [(etu)2Au]Cl
• CAS: 95407-71-9
• 化学式: C₆H₁₂AuN₄S₂*Cl
• 分子量: 436.74
• InChiKey: RCMRTPXSZSSZMB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.07
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  48.12
• 氢给体数：
  4.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  bis(imidazolidine-2-thione)gold(I) chloride 在 HNO₃ 作用下， 以 not given 为溶剂， 生成 Bis-Aethylenthioharnstoff-Gold(I)-nitrat
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Au: MVol.3, 8.2, page 683 - 689

  摘要：

  DOI：
• 作为产物：
  描述：

  bis(imidazolidine-2-thione)gold(I) chloride monohydrate 以 neat (no solvent) 为溶剂， 生成 bis(imidazolidine-2-thione)gold(I) chloride
  参考文献：
  名称：

  Secondary Interactions in Gold(I) Complexes with Thione Ligands. 1. Three Ionic Chlorides

  摘要：

  摘要：对[(etu)2Au]+Cl−·H2O（1）、[(etu)2Au]+Cl−（2）和[(Me-etu)2Au]+Cl−（3）（etu = 咪唑烷-2-硫酮）结构中的次级相互作用进行了分析。在阳离子中，扭转角C-S...S-C实际上是唯一的自由度，从1中的几乎重叠（-20°）到2中的-79°，再到3中的确切180°。1和2均形成十元环，其中水分子或氯离子分别作为阳离子的两个NH供体的氢键受体。进一步的经典氢键导致双层结构的形成。化合物3中，金原子位于反演中心，氯原子位于二倍轴上，利用其一个N-H...Cl接触形成齿状弯曲链，链方向中具有Au...Cl接触。C-H...Cl和C-H...Au之间的弱氢键在1中起到次要作用，但在2和3中更为显著。

  DOI：

  10.1515/znb-2004-0108

文献信息

• Secondary Interactions in Gold(I) Complexes with Thione Ligands, 3. Three Ionic Dimesylamides [1, 2]
  作者：Friedrichsa Friedrichsa、Peter G. Jones

  DOI：10.1515/znb-2004-11-1210

  日期：2004.12.1

  Three structures of the form bis(thione)gold(I) di(methanesulfonyl)amide [thione = imidazolidine- 2-thione, 1; 1-methyl-imidazolidine-2-thione, 2; thiazolidine-2-thione, 3] were determined; all crystallize with one formula unit in the asymmetric unit. Each N-H hydrogen bond donor forms one classical two-centre hydrogen bond with an anion acceptor. Compound 1 thereby forms a complex layer structure with a layer thickness of 10.17 Å ; the packing may be analysed in terms of thinner subunit layers consisting of interlinked, hydrogen-bonded chains and rings. Compound 2 forms a chain structure consisting of a series of “hairpin bends”, a common feature in the gold complexes of 1-alkyl-imidazolidine-2-thiones. Compound 3 forms a corrugated ribbon structure in which the central region consists of parallel S-Au-S axes linked by aurophilic interactions; the anions exercise a “clamping” function by forming hydrogen bonds at the periphery of the ribbons. Further short contacts can be classed as weak hydrogen bonds C-H ··· X, with X = N, O, S or Au.

  标题：摘要 三种形式为双硫醚金(I)二(甲磺酰)胺的结构[硫醚 = 咪唑啉-2-硫醚，1; 1-甲基咪唑啉-2-硫醚，2; 噻唑啉-2-硫醚，3]已确定；所有晶化物在不对称单元中结晶出一个化学式单位。每个N-H氢键给体与一个阴离子受体形成一个经典的双中心氢键。化合物1因此形成一个层状结构，层厚为10.17 Å；包装可以根据由相互连接的氢键链和环组成的较薄的亚单位层来分析。化合物2形成一个链状结构，由一系列“发夹弯曲”组成，这是1-烷基咪唑啉-2-硫醚金配合物中的一个常见特征。化合物3形成一个波纹状带状结构，其中中心区域由通过金-金相互作用连接的平行S-Au-S轴组成；阴离子通过在带状结构边缘形成氢键来发挥“夹持”功能。进一步的短接触可以归类为弱氢键C-H ··· X，其中X = N、O、S或Au。
• Secondary Interactions in Gold(I) Complexes with Thione Ligands, 4. Three Further Salts of the Bis(imidazolidine-2-thione)gold(I) Cation [1, 2]
  作者：Steffi Friedrichs、Peter G. Jones

  DOI：10.1515/znb-2006-1112

  日期：2006.11.1

  Three structures of the form bis(imidazolidine-2-thione)gold(I) disulfonylamide [disulfonylamide = benzene-1,2-di(sulfonyl)amide (1), di(4-chlorobenzenesulfonyl)amide (2), di(4-iodobenzenesulfonyl) amide (3)] were determined. Compound 3 crystallizes with four independent formula units. The cations in 1 and 3 show an antiperiplanar conformation about the S···S axis, whereas the corresponding torsion angle in 2 is 72°. The packing in 1 consists of linked ribbons in which the NH groups of neighbouring cations are bridged by O-S-O groups of the anions. Compound 2 exhibits a complex layer structure in which several multi-centre hydrogen bonds are observed. The structural subunits of compound 3 involve an alternating anion-cation chain for two of the cations and inversionsymmetric anion-cation dimers for the other two cations. Short C-H···Au contacts (shortest H···Au 2.63 Å in 2) contribute to the packing of compounds 2 and 3.

  本文报道了三种形式的二咪唑啉-2-硫酮金(I)双磺酰胺结构，其中[双磺酰胺 = 苯-1,2-二(磺酰)胺(1)，二(4-氯苯磺酰)胺(2)，二(4-碘苯磺酰)胺(3)]。化合物3晶体中含有四个独立的分子式单位。化合物1和3中的阳离子在S···S轴周围呈反平面构象，而化合物2中的相应扭曲角度为72°。化合物1的堆积由相邻阳离子的NH基团和阴离子的O-S-O基团桥接的连续带状链组成。化合物2呈现出复杂的层状结构，其中观察到多中心氢键。化合物3的结构亚单位涉及两个阳离子的交替阴离子-阳离子链和另外两个阳离子的反演对称阴离子-阳离子二聚体。短C-H···Au接触(在化合物2中最短的H···Au为2.63Å)有助于化合物2和3的堆积。
• Secondary Interactions in Gold(I) Complexes with Thione Ligands. 2. Three Ionic Camphorsulfonates with Z’ = 2 [1]
  作者：Steffi Friedrichs、Peter G. Jones

  DOI：10.1515/znb-2004-0708

  日期：2004.7.1

  All three structures of the form bis(thione)gold(I) camphor-10-sulfonate [thione = imidazolidine-2-thione, 1; 1-methyl-imidazolidine-2-thione, 2; thiazolidine-2-thione, 3] crystallize in chiral space groups with Z′ = 2; local inversion symmetry of the cationic assemblies (less pronounced for 3) provides some rationalisation for this. The basic structural units are accounted for in terms of classical hydrogen bonds, leading to rings involving ion pairs for 1 and 2, but to infinite chains of anions and cations for 3. Neighbouring ion pairs in 1 are joined by further classical hydrogen bonds, in 2 via interactions between parallel S-Au-S axes. Other interactions include Au···N for 1, Au···S and Au···O for 3, and weak hydrogen bonds C-H···O and C-H···S, especially between adjacent chains in 3. Each structure is divided into hydrophobic and hydrophilic regions.

  三种形式的双硫腙金(I)樟脑-10-磺酸盐的结构[腙=咪唑烷-2-腙，1; 1-甲基咪唑烷-2-腙，2; 噻唑烷-2-腙，3]以手性空间群Z' = 2结晶；阳离子组装的局部反演对称性（对于3不太明显）为此提供了一些解释。基本的结构单元可以用经典氢键解释，导致1和2中包含离子对的环，但对于3则是无限的阳离子和阴离子链。在1中，相邻的离子对由进一步的经典氢键连接，在2中则通过平行的S-Au-S轴之间的相互作用连接。其他相互作用包括Au···N对于1，Au···S和Au···O对于3，以及C-H···O和C-H···S的弱氢键，特别是在3中相邻链之间。每个结构分为疏水区和亲水区。
• XXI.—Researches on residual affinity and co-ordination. Part XXX. Complex ethylenethiocarbamido-salts of univalent and bivalent metals
  作者：Gilbert T. Morgan、Francis Hereward Burstall

  DOI：10.1039/jr9280000143

  日期：——
• Deprotonated ethylenethiourea as a ligand in an unusual tetrameric gold(I) complex†
  作者：Peter G. Jones、Steffi Friedrichs

  DOI：10.1039/a904137k

  日期：——

  The product of the reaction between [(etu)2Au]+Cl– (etu = imidazolidine-2-thione) and aqueous sodium hydroxide, previously described as (etu)Au}2O, is shown by X-ray analysis to be a tetramer with four gold(I) centres and four deprotonated etu ligands acting as N,S-donors.