Chemical preparation, crystal structure and vibrational study of a new dihydrogenotriphosphate trihydrate of 4-aminobenzoic acid fertilizer type NP

Crystals of dihydrogenotriphosphate trihydrate of 4-aminobenzoic acid, (NH3C6H4COOH)3H2P3O10·3H2O, were prepared and grown at room temperature. (NH3C6H4COOH)3H2P3O10·3H2O crystallizes in the triclinic system with centric space group P-1. Its unit-cell dimensions are a = 9.844(1) Å, b = 13.086(4) Å, c = 13.320(2) Å, α = 107.12(2)°, β = 106.08(1)°, γ = 97.87(2)°, Z = 2 and V = 1530 Å3. The structure was determined by X-ray diffraction data collection on a single-crystal and gives a clear description of hydrogen bonds interconnecting the triphosphoric groups so as to build [(H2P3O10)(H2O)]3− infinite inorganic chains that extend along the [110] direction. Organic cations, spreading along the [101] direction establish hydrogen bonding connections between the inorganic chains. The IR spectrum for the crystal confirms that most of the vibrational modes are comparable to similar triphosphates and to the calculated frequencies. The thermal properties reveal that the compound is stable until 90 °C.