Synthesis, crystal structure, and non-covalent interactions in ethyl 4-hydrazinobenzoate hydrochloride

Jelem Restrepo, Christopher Glidewell, Néstor Cubillán, Ysaias Alvarado, Necmi Dege, Miguel Morales-Toyo

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

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.
Original languageEnglish
JournalJournal of Molecular Structure
VolumeIn press
Early online date28 Sept 2018
DOIs
Publication statusE-pub ahead of print - 28 Sept 2018

Keywords

  • Synthesis
  • Crystal structure
  • Molecular structure
  • Hydrogen bonding
  • Modelling of non-covalent interactions

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