(4-Carbamoylphenyl)boronic acid

Abstract

In the title compound, C7H8BNO3, the mol­ecule lies on an inversion center leading to a statistical disorder of the B(OH)2 and CONH2 groups. In the crystal structure, mol­ecules are linked by N—H⋯O and O—H⋯O hydrogen bonds, forming sheets parallel to the bc plane. The B(OH)2 and CONH2 groups are twisted out of the mean plane of the benzene ring by 23.9 (5) and 24.6 (6)°, respectively.

On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids

“…6i In the crystal structure of IJ4-carbamoylphenyl)boronic acid, the boronic acid and carboxamide functions are linked through amide-amide and BIJOH) 2 ⋯IJHO) 2 B homosynthons, respectively. 11 On the basis of this knowledge and considering potential applications, we decided to explore herein the formation of cocrystals of aromatic boronic acids with biologically and/or pharmaceutically relevant molecules containing COO − or CIJO)NH 2 functions. For this purpose, the L-series of essential amino acids (AA) and the positional isomers of nicotinamide (NA and INA) were chosen.…”

The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids

“…The BBA crystal was obtained by dissolving BBA in ethanol–water (1:1 in v/v) solution and slow evaporation in refrigerator (4–8 °C) for 2–3 weeks. The CPBA crystal was grown according to the literature procedure …”

“…The CPBA crystal was grown according to the literature procedure. 49 2.3. Spectroscopic Measurements.…”

(4-Carbamoylphenyl)Boronic Acid: A DFT Study On The Structural And Spectral Properties

“…As mentioned before, CAPBA had been investigated for its crystallographical structure via single-crystal X-ray spectroscopy (Apostolova et al, 2010). Both the experimental and the calculated bond lengths and bond angles have been tabulated in Table 1 and Table 2 respectively.…”

“…CAPBA is a white to Brown solid with a melting point of 229-234°C (URL1). Apostolova et al experimentally found the molecular properties of the title compound 4-Carbamoylphenylboronic acid (AKA 4-Aminocarbonylphenylboronic acid / CAPBA) in a crystallographic study (Apostolova et al, 2010). But unfortunately, there is no other experimental spectral data for this compound so far.…”