Structural studies of organoboron compounds. XLIX. 4,6-Bis(1-phenyl-2-nitroethyl)-2-(4-methoxyphenyl)-1,3-dioxa-4,6-diaza-2-boracyclohexane
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) Å, 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) Å. Key words: organoboron compound, crystal structure, cycloboronate, methanediamine.