tris(2-methoxy-5-bromophenyl)bis(2-nitrobenzoato)antimony | 1346749-75-4

• 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: tris(2-methoxy-5-bromophenyl)bis(2-nitrobenzoato)antimony
• CAS: 1346749-75-4
• 化学式: C₃₅H₂₆Br₃N₂O₁₁Sb
• 分子量: 1012.06
• InChiKey: CTFRQGLDYSXFPL-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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• 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：

  邻硝基苯甲酸 、 tris(5-bromo-2-methoxyphenyl)antimony(III) benzene monosolvate 在 H₂O₂ 作用下， 以 乙醚 为溶剂， 以96%的产率得到tris(2-methoxy-5-bromophenyl)bis(2-nitrobenzoato)antimony
  参考文献：
  名称：

  Tris(2-methoxy-5-bromophenyl)antimony bis(2-nitrobenzoate): Synthesis and specific features of the structure

  摘要：

  Tris(5-bromo-2-methoxyphenyl)antimony bis(2-nitrobenzoate) (I) is synthesized by the reaction of tris(5-bromo-2-methoxyphenyl) antimony with 2-nitrobenzoic acid in the presence of hydrogen peroxide (mole ratio 1 : 2 : 1). According to the X-ray diffraction data, the antimony atom has distorted trigonal bipyramidal coordination. The axial angle OSbO is 177.92(11)degrees, equatorial bonds CSbC are 109.23(16)degrees-128.31(16)degrees, and the Sb-O and Sb-C bond lengths are 2.095(3)-2.125(3) and 2.098(4)-2.113(4) angstrom, respectively. A specific feature of the structure of complex I is the presence of intramolecular contacts Sb center dot center dot center dot O(CH3) (2.992-3.175 angstrom along with the interactions Sb center dot center dot center dot O=C (3.039-3.117 angstrom). The structural organization in crystal is due to weak hydrogen bonds N-O center dot center dot center dot H-C, C-O center dot center dot center dot H-C, C-Br center dot center dot center dot H-C.

  DOI：

  10.1134/s1070328411090089