Non-Covalent Interactions in the Crystal Structure of Methyl 4-Hydroxy-3-Nitrobenzoate

Xin-Ling Fu, Jiang-Sheng Li, Jim Simpson
2012 Crystals  
Please cite this article as: J. Restrepo, C. Glidewell, Né. Cubillán, Y. Alvarado, N. Dege, M. Morales-Toyo, Synthesis, crystal structure, and non-covalent interactions in ethyl 4-hydrazinobenzoate hydrochloride, Journal of Molecular Structure (2018), doi: https://doi. ABSTRACT The compound ethyl 4-hydrazinobenzoate hydrochloride (E-4HB), C 9 H 13 N 2 O 2 Cl, has been synthesized and characterized by FT-IR, 1 H and 13 C NMR and X-ray diffraction. The compound crystallizes as colourless plates
more » ... 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) Å 3 . 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.
doi:10.3390/cryst2020669 fatcat:6oh4qodrqndbra4557yim7lwne