144252-82-4Relevant academic research and scientific papers
Structural studies of organoboron compounds L. 4-(2-Hydroxy-2,2-diphenylacetyl)-6,6-pentamethylene-2-phenyl-1,3-dioxa-4-aza-2-boracyclohexane and 4--6,6-pentamethylene-2-phenyl-1,3-dioxa-4-azonia-2-boracycloh...
Kliegel, Wolfgang,Preu, Lutz,Schumacher, Ute,Rettig, Steven J.,Trotter, James
, p. 1176 - 1187 (2007/10/02)
The preparation of the organoboron compounds 4-(2-hydroxy-2,2-diphenylacetyl)-6,6-pentamethylene-2-phenyl-1,3-dioxa-4-aza-2-boracyclohexane, 6, 4-(2,2-difluoro-5,5-diphenyl-1,3-dioxa-2-borata-4-cyclopentylidene)-6,6-pentamethylene-2-phenyl-1,3-dioxa-4-azonia-2-boracyclohexane, 14a, and 4--6,6-pentamethylene-2-phenyl-1,3-dioxa-4-azonia-2-boracyclohexane, 14b, are reported.Crystals of 6 are triclinic, P, a=8.7348(5), b=11.0529(6), c=14.104(1) Angstroem, α=65.785(5) deg, β=72.147(6) deg, γ-79.928(6) deg ; Z=2, ρc=1.130 g cm-3, and crystals of 14b*1/2 CH2Cl2 are also triclinic, P, a=11.799(1), b=13.464(2), c=10.047(2) Angstroem, α=103.28(2) deg, β=92.60(2) deg, γ=79.752(8) deg, Z=2, ρc=1.285 g cm-3.The structures were solved by direct methods and were refined by full-matrix least-squares procedures to final R values of 0.040 and 0.060 for 3881 and 3221 reflections with I>/=3?(I), respectively.Compound 6 has a six-membered cycloboronate structure, bond distances involving the trigonal planar boron atom being (N)O-B = 1.390(2), (C)O-B = 1.345(2), and B-C(phenyl) = 1.557(2) Angstroem.Compound 14b represents a derivative of 6 in which an intramolecularly hydrogen-bonded hydrogen atom has been replaced by a difluoroboron moiety and represents the first structurally characterized compound containing both a phenylboronate and a difluoroboron chelate ring within the same molecule.Bond lengths in 14b involving the tigonal planar boron atom are (N)O-B = 1.403(5), (C)O-B = 1.326(5), and B-C(phenyl) = 1.550(5) Angstroem and those involving the tetrahedral boron atom are O-B = 1.427(5) and 1.547(5), F-B = 1.353(5) and 1.382(5) Angstroem.
