Synthesis, crystal structure, and non-covalent interactions in ethyl 4-hydrazinobenzoate hydrochloride
Abstract
The compound ethyl 4-hydrazinobenzoate hydrochloride (E-4HB), C9H13N2O2Cl, 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.
Citation
Restrepo , J , Glidewell , C , Cubillán , N , Alvarado , Y , Dege , N & Morales-Toyo , M 2018 , ' Synthesis, crystal structure, and non-covalent interactions in ethyl 4-hydrazinobenzoate hydrochloride ' , Journal of Molecular Structure , vol. In press . https://doi.org/10.1016/j.molstruc.2018.09.056
Publication
Journal of Molecular Structure
Status
Peer reviewed
ISSN
0022-2860Type
Journal article
Description
The authors thank Fondo Nacional de Ciencia, Tecnología e Innovación (FONACIT Proyecto de apoyo a Grupos No. G-2005000403). Proyecto 1063, Instituto Venezolano de Investigaciones Científicas (IVIC). We thank Dr. Duane Choquesillo-Lazarte (LEC, IACT-CSIC), for the X-ray data collection.Collections
Items in the St Andrews Research Repository are protected by copyright, with all rights reserved, unless otherwise indicated.