Synthesis, crystal structure, and non-covalent interactions in 4-hydrazinobenzoic acid hydrochloride.

ABSTRACT The compound 4-hydrazinobenzoic acid hydrochloride (4-HBA), C7H9O2.Cl, has been synthesized and characterized by FT-IR spectroscopy and X-ray diffraction. The compound crystallizes as colourless needles in a triclinic system, space group P¯1 (Z=2), and cell parameters a = 3.7176 (4) A, b = 5.9133 (4) A, c = 19.3631 (13) A, α = 87.841 (6), β = 88.924 (6), γ = 80.203 (6), V = 419.13 (6) A3. The component ions are linked by a combination of O-H...O, N-H...N and N-H...Cl hydrogen bonds to form a complex three-dimensional framework structure in which each cation is linked to two other cations, by O-H...O and N-H...N hydrogen bonds, and to five different anions, while each anion accepts hydrogen bonds from five different cations. Calculations on the Non-Covalent Interactions (NCI) amplify the crystallographic conclusions concerning the interionic hydrogen bonds.