Ga2(OEt)2(pyridine-2-thiolate)4 | 165053-84-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Ga2(OEt)2(pyridine-2-thiolate)4
• 英文别名: ethoxy-bis(pyridin-2-ylsulfanyl)gallane
• CAS: 165053-84-9
• 化学式: C₂₄H₂₆Ga₂N₄O₂S₄
• 分子量: 670.206
• InChiKey: IOKFWDUEJDVZQP-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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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：

  乙醇 、 gallium;pyridine-2-thiolate 以 乙醇 、 二氯甲烷 为溶剂， 生成 Ga2(OEt)2(pyridine-2-thiolate)4
  参考文献：
  名称：

  Synthesis and Characterization of Gallium and Indium Thiolate Complexes. Crystal and Molecular Structures of [M(SC5H4N)3] (M = Ga, In), [In(SC5H3N-3-SiMe3)3], and [M2(OC2H5)2(SC5H4N)4] (M = Ga, In)

  摘要：

  The synthesis and characterizations of the monomeric group III thiolate complexes [In(SC5H4N)(3)] (1), [In(SC5H3N-3-SiMe(3))(3)] (2), and [Ga(SC5H4N)(3)] (5) and of the binuclear alkoxy-bridged derivatives [M(2)(OC2H5)(2)(SC5H4N)(4)] (M = In (3), Ga (6)) are described. Compounds 1 and 2 are formed in the reaction of the appropriate nitrate salt M(NO3)(3) . xH(2)O with the pyridine-2-thiol derivative in ethanol or water in the presence of triethylamine. In contrast, when the reaction is carried out under strictly anaerobic conditions, using the appropriate metal chloride MCl(3) in ethanol solution, the binuclear species 3 and 6 are obtained. Compound 5 was prepared using GaCl3 in THF with pyridine-2-thiol under strictly anaerobic conditions. Compound 4 was prepared under anaerobic conditions in THF solvent from GaCl3 and pyridine-2-thiol, Attempts to prepare complexes of the 3,6-bis(tert-butyldimethylsilyl)pyridine-2-thiol ligand type were unsuccessful. However, the sodium salt [Na{SC5H2N-3,6-(SiMe(2)Bu(t))(2)}](6) . 2(C2H5)(2)O (7) was isolated and the structure characterized. Crystal data: 1, C15H12N3S3In, monoclinic, P2(1), a = 8.779(2) Angstrom, b = 11.614(2) Angstrom, c = 9.397(2) Angstrom, beta = 114.67(3)degrees, V = 870.7(4) Angstrom(3), Z = 2, 2392 reflections with I-0 > 3 sigma(I-0), R = 0.0338; 2, C24H36N3S3Si3In, orthorhombic, Pca2(1), a = 11.645(2) Angstrom, b = 19.741(4) Angstrom, c = 14.040(3) Angstrom, V = 3227(2) Angstrom(3), Z = 4, 1930 reflections, R = 0.0464; 3, C24H26N4O2S4In2, monoclinic, P2(1)/n, a = 8.420(2) Angstrom, b = 11.860(2) Angstrom, c = 14.629(3) Angstrom, beta = 101.83(3)degrees, V = 1429.8(7) Angstrom(3), Z = 2, 1699 reflections, R = 0.0296; 5, C15H12N3S3Ga, monoclinic, P2(1)/n, a = 8.661(2) Angstrom, b = 11.609(4) Angstrom, c = 9.315(2) Angstrom, beta = 115.40(3) Angstrom, Z = 2, 1508 reflections, R = 0.0453; 6, C24H26N4O2S4Ga2, monoclinic, P2(1)/n, a = 8.444(2) Angstrom, b = 11.479(2) Angstrom, c = 14.162(3) Angstrom, beta = 1354.4(7)degrees, Z = 2, 1513 reflections, R = 0.0349; 7, C124H248N6OS6Si12Na6, triclinic, P $($) over bar$$ 1, a = 16.156(3) Angstrom, c = 17.665(4) Angstrom, alpha = 118.47(3)degrees, beta = 92.40(3)degrees, gamma = 114.75(3)degrees, V = 3757(2) Angstrom(3), Z = 1, 5125 reflections, R = 0.0809.

  DOI：

  10.1021/ic00119a019