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 Pˉ1 (Z = 2), and cell parameters a = 3.7176 (4) Å, b = 5.9133 (4) Å, c = 19.3631 (13) Å, α = 87.841 (6), β = 88.924 (6), γ = 80.203 (6), V = 419.13 (6) Å3. 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.
- Publication:
-
Journal of Molecular Structure
- Pub Date:
- February 2020
- DOI:
- 10.1016/j.molstruc.2019.127154
- Bibcode:
- 2020JMoSt120127154M
- Keywords:
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- Phenylhydrazine hydrochloride;
- Synthesis;
- Crystal structure;
- Non-covalent interactions