Structural studies of organoboron compounds. XLIX. 4,6-Bis(1-phenyl-2-nitroethyl)-2-(4-methoxyphenyl)-1,3-dioxa-4,6-diaza-2-boracyclohexane
Structural studies of organoboron compounds. XLIX. 4,6-Bis(1-phenyl-2-nitroethyl)-2-(4-methoxyphenyl)-1,3-dioxa-4,6-diaza-2-boracyclohexane
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有机硼化合物的结构研究。
DOI：
10.1139/v91-183
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发表时间：
1991
期刊：
影响因子：
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通讯作者：
J. Trotter
中科院分区：
文献类型：
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作者：
W. Kliegel;G. Lubkowitz;S. Rettig;J. Trotter
本文报道了N，N′-双（1-苯基-2-硝基乙基）-N，N′-二羟基甲烷二胺的制备及其与4-甲氧基苯硼酸反应生成4，6-双（1-苯基-2-硝基乙基）-2-（4-甲氧基苯基）-1，3-二氧杂-4，6-二氮杂-2-硼杂环己烷。后者的晶体为单斜晶系，a = 8.4790（8），B = 16.2100（9），c = 9.4367（6）A，β = 109.342（5）°，Z = 2，空间群P21。 结构用直接法解出，用全矩阵最小二乘法修正，对于I ≥ 3σ（I）的1749个反射，R= 0.032，Rw =0.039。 该分子具有六元BONCNO环硼酸酯结构。含三角平面硼原子的键长为（N）O-B = 1.362（4）和1.364（5），（芳基）C-B = 1.548（4）A。 关键词：有机硼化合物，晶体结构，环硼酸酯，甲二胺。
The preparation of N,N′-bis(1-phenyl-2-nitroethyl)-N,N′-dihydroxymethanediamine and its subsequent reaction with 4-methoxyphenylboronicacid to yield 4,6-bis(1-phenyl-2-nitroethyl)-2-(4-methoxyphenyl)-1,3-dioxa-4,6-diaza-2-boracyclohexane are described. Crystals of the latter compound are monoclinic, a = 8.4790(8), b = 16.2100(9), c = 9.4367(6) A, β = 109.342(5)°, Z = 2, space groupP21. The structure was solved by direct methods and was refined by full-matrix least-squares procedures to R = 0.032 and Rw = 0.039 for 1749 reflections with I ≥ 3σ(I). The molecule has a six-membered BONCNO cycloboronate structure. Bond lengths involving the trigonal planar boron atom are (N)O—B = 1.362(4) and 1.364(5), (aryl)C—B = 1.548(4) A. Key words: organoboron compound, crystal structure, cycloboronate, methanediamine.