3-Aminophenylboronic acid monohydrate

Abstract

In the title compound, C6H8BNO2·H2O, the almost planar boronic acid mol­ecules (r.m.s. deviation = 0.044 Å) form inversion dimers, linked by pairs of O—H⋯O hydrogen bonds. The water mol­ecules link these dimers into [100] chains by way of O—H⋯O hydrogen bonds, and N—H⋯O links generate (100) sheets.

DFT calculations and experimental FT-IR, FT-Raman, NMR, UV–Vis spectral studies of 3-fluorophenylboronic acid

“…The aromatic carbons give resonances in overlapped areas of the NMR spectrum with chemical shift values from 100 to 150 ppm [54,55]. The calculated and experimental 13 162.64, 141.87, 130.07, 129.80, 119.65 and 116.77 ppm, respectively. The C 4 atom has smaller chemical shifts (both experimental and theoretical) than the other ring carbon atoms, due to shielding effect which the non-electronegative property of B(OH) 2 group.…”

“…The molecular structures of phenylboronic acid and its derivatives have been studied many authors for years [6][7][8][9][10][11][12][13][14][15]. Rettig and Trotter [6] studied crystal and molecular structures of phenylboronic acid.…”

“…Rodriguez et al [11] prepared the crystal structure of 2,4-difluorophenylboronic acid. The molecular and crystal structures of 3-formylphenylboronic acid and 3-aminophenylboronic acid monohydrate were analyzed [12,13].…”

Experimental (FT-IR, FT-Raman, UV–Vis, 1H and 13CNMR) and computational (density functional theory) studies on 3-bromophenylboronic acid

“…Shimpi et al [20] reported the crystal structures of 4-chloro-and 4-bromophenylboronic acids and hydrates of 2-and 4-iodophenylboronic acid in two different forms, which were characterized by single-crystal X-ray diffraction methods. The molecular and crystal structures of 3-Formylphenylboronic acid [21] and 3-aminophenylboronic acid monohydrate [22] were analyzed.…”

Fabrication of Photomagnetic Carbon Surfaces via Redox Assembly

“…Here, the APBA treatment was carried out in a 0.1 M HCl solution containing 1 mM APBA and an equimolar amount of NaNO 2 via voltage cycling between 0 and −0.6 V for one cycle at a scan rate of 50 mV/s. The increments (Δr), 0.13 nm and 0.27 nm, suggest that the HOPG becomes covered with a submonolayer of APBA and Ru(bpy) 2 (phendione) 2+ and the reaction stoichiometry between APBA and Ru(bpy) 2 (phendione) 2+ is 1 : 1 in terms of molar ratio, estimated under the assumption that the molecular sizes of the compounds are approximately proportional to the cube roots of their cell volumes (760Å 3 for APBA [15] and…”