potassium bis(malonato)borate | 83145-87-3

• 英文名称: potassium bis(malonato)borate
• CAS: 83145-87-3
• 化学式: C₆H₄BO₈*K
• 分子量: 254.002
• InChiKey: SBIJNDYOAZXDTD-UHFFFAOYSA-N

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：

  丙二酸 、 硼酸 在 potassium carbonate 作用下， 以 苯 为溶剂， 以95%的产率得到potassium bis(malonato)borate
  参考文献：
  名称：

  Bessler, Eberhard; Weidlein, Johann, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1982, vol. 37, # 8, p. 1020 - 1025

  摘要：

  DOI：

文献信息

• Synthesis and crystal structure of potassium bis(malonato)borate
  作者：I. I. Zviedre、S. V. Belyakov

  DOI：10.1134/s0036023607050063

  日期：2007.5

  Potassium bis(malonato) borate C6H4BKO8 ( I) was synthesized for the first time in an aqueous medium. Well-shaped single crystals were formed. Their X-ray diffraction structure ( space group P (1) over bar, a = 7.4073( 2) angstrom, b = 7.9161( 2) angstrom, c = 9.0755( 2) angstrom, alpha 113.225(1)degrees, beta = 91.553( 1)degrees, gamma = 104.760(2)degrees, Z = 2) was refined by the full-matrix least-squares method in the anisotropic ( K, C, O, B) or isotropic ( H) approximations to R1 = 0.394, wR2 = 0.1080, 2661 independent reflections (Bruker - Nonius KappaCCD, lambda MoK alpha radiation). The structure is formed by spirane-type complex anions and potassium cations. A complex anion consists of two malonic acid molecules coordinated in the bidentate mode to the same four-coordinate boron atom. The K+ coordination geometry is an irregular nine-vertex polyhedron formed by the oxygen atoms of seven complex anions. The structure of compound I is layered.