((2-formylphenyl)diphenyl-l5-phosphaneyl)gold(II) bromide | 1618100-23-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ((2-formylphenyl)diphenyl-l5-phosphaneyl)gold(II) bromide
• CAS: 1618100-23-4
• 化学式: C₁₉H₁₅AuBrOP
• 分子量: 567.172
• InChiKey: MDFHWYKKWSYBTA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  四丁基二溴金酸铵 、 2-二苯基膦苯甲醛 以 N,N-二甲基甲酰胺 为溶剂， 生成 ((2-formylphenyl)diphenyl-l5-phosphaneyl)gold(II) bromide
  参考文献：
  名称：

  Isomorphism in the structural chemistry of two-coordinate adducts of diphenyl(2-formylphenyl)phosphine and triphenylphosphine with gold(I) halides

  摘要：

  Single crystal X-ray structure determinations are recorded for dipheny1(2-formylphenyl)phosphine gold(I) halides [Ph-2(Ph-CHO)PAuXI, X = Cl, Br and I, and for redeterminations of enhanced precision for triphenylphosphine gold(I) halides [Ph3PAuX], X = Cl, Br, I, and SCNo.siBro,os. These complexes, other than [Ph2(Ph-CHO)PAuCl], together with a diverse array of other structures, crystallize as an isomorphous series in the orthorhombic space group P212121 a = 9.804(1)-11.906(3), b = 11.771(2)-12.996(3) and c= 12.871(1)-14.169(3) A. In these complexes, introduction of the formyl group results in only minor differences between the conformations of the two phosphine ligands and the corresponding Au-P, Au-X, and Au-P-X bond lengths and angles. The crystal packings of [Ph3PALIXI for X = Cl, Br, I and of [Ph2(Ph-CHO)PAuX] for X = Br and I show that, while these structures are isomorphous, different supramolecular synthons may be present, suggesting global packing considerations are all-important rather than specific supramolecular interactions. This is borne out by the different packing found for the centrosymmetric [Ph2(Ph-CHO)PAuCl] structure. Crystallization of the mixed anion structure [Ph3PAuSCN0.s1Bro.09] in the above P212121 lattice rather than the P21/c lattice reported for pure [Ph3PAuSCH] suggests that co-crystallization with bromide may impose constraints on packing considerations which favor crystallization in the P212121 lattice. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2014.05.020