tetrabutylammonium salt of gold dibromide with 2,3,7,8-tetracyano-1,4,6,9-tetraazothianthrene | 716319-12-9

• 英文名称: tetrabutylammonium salt of gold dibromide with 2,3,7,8-tetracyano-1,4,6,9-tetraazothianthrene
• CAS: 716319-12-9
• 化学式: AuBr₂*C₁₂N₈S₂*C₁₆H₃₆N
• 分子量: 919.561
• InChiKey: FFGAKWTZOPEZSP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  potassium tetrachloroaurate(III) 、 sodiumsulfide nonahydrate 、 四丁基溴化铵 、 5,6-二氯-2,3-二氰基吡嗪 以 丙酮 为溶剂， 生成 tetrabutylammonium salt of gold(III)-bis-5,6-dicyano-2,3-dithiopyrazine 、 tetrabutylammonium salt of gold dibromide with 2,3,7,8-tetracyano-1,4,6,9-tetraazothianthrene 、 tetrabutylammonium salt of gold(III)-bis-5,6-dicyano-2,3-dithiopyrazine with 2,3,7,8-tetracyano-1,4,6,9-tetraazothianthrene
  参考文献：
  名称：

  5,6-Dicyano-2,3-dithiopyrazine (dcdmp) chemistry: synthesis and crystal structure of Au(III)(dcdmp)2 complexes and 2,3,7,8-tetracyano-1,4,6,9-tetraazothianthrene

  摘要：

  As an effort to explore new complexes of the 2,3-dicyano-5,6-dimercaptopyrazyne (dcdmp) ligand with different transition metals, different salts containing both the Au(dcdmp)(2)(-) complex and the new species 2,3,7,8-tetracyano-1,4,6,9-tetraazothianthrene (tctata), were obtained and characterized. n-Bu4N Au(dcdmp)(2) crystallises in monoclinic space group C2/c, Z = 8 with unit cell parameters a = 35.147(4), b = 9.527(1), c = 21.792(2) Angstrom and beta = 109.626(8)degrees. Its crystal structure consist of almost regular columns of [Au(dcdmp)(2)](-), stacked along b, surrounded by n-Bu4N+ cations. n-Bu4N AuBr2 (tctata) crystallises in triclinic space group P (1) over bar, Z = 2, with unit cell parameters a = 10.986(1), b = 13.230(2), c = 13.791(1) Angstrom, alpha = 79.150(9)degrees, beta = 69.663(6)degrees, gamma = 70.254(9)degrees. The crystal packing is made by zig-zag chains of tctata separated by layers of cations, with AuBr2 anions located in alternated cavities between the tctata chains and the cation layers. At last, n-Bu4N[Au(dcdmp)(2)] (tctata) crystallises in monoclinic space group P2(1)/n, Z = 4, with unit cell parameters a = 10.693(2), b = 40.308(7), c = 10.870(1) Angstrom, beta = 92.16(1)degrees. Its crystal structure can be seen has a mix of those of the two preceding compounds. It consists of bidimensional layers composed of out of registry parallel zig-zag chains of alternating tctata and [Au(dcdmp)(2)](-) units. The adjacent layers are separated by layers of [nBu(4)N](+). In the last two compounds the tctata appears as a planar molecule. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.02.019