Synthesis, Crystal Structure, and Non-Covalent Interactions in Ethyl 4-Hydrazinobenzoate Hydrochloride

Abstract

The compound ethyl 4-hydrazinobenzoate hydrochloride (E-4HB), C<inf>9</inf>H<inf>13</inf>N<inf>2</inf>O<inf>2</inf>Cl, has been synthesized and characterized by FT-IR, 1H and 13C NMR and X-ray diffraction. The compound crystallizes as colourless plates in the triclinic space group P-1, with Z' = 2 and cell parameters a = 5.9566 (4) Å, b = 7.4498 (6) Å, c = 23.5349 (17) Å, α = 84.323 (3), β = 84.521 (3), γ = 80.257 (3), V = 1020.95 (13) Å3. The component ions are linked by two N–H⋯N hydrogen bonds and eight N–H⋯Cl hydrogen bonds to form complex sheets in which each of the chloride ions accepts hydrogen bonds from four different cations. Calculations on the Non-Covalent Interactions (NCI) amplify the crystallographic conclusions concerning the intermolecular hydrogen bonds. © 2018