David Oliveros Garavito, Andrea Pastrana-Dávila, Javier Ellena, Pedro H.O. Santiago, Oscar Rojas, Dominik Pentlehner, Luis A. Illicachi, Richard D’Vries,
This work presents the synthesis, spectroscopic characterization, and structural analysis of N'-((1Z,2E)-1,3-diphenylallylidene)-2-hydroxybenzohydrazide (DAHH). Comprehensive spectroscopic characterization was performed using ¹H and ¹³C NMR, MS, FT-IR, and optical spectroscopy. Single crystal X-ray diffraction analysis shows that the new benzohydrazide derivative crystallizes in the monoclinic space group P21/c with one molecule per asymmetric unit and general formula C22H18N2O2. The structural data enabled supramolecular analysis, showing that crystalline packing is formed by N-H···O and O-H···O hydrogen interactions. It also features weak T-shape C-H···π (edge-to-face) and C=C···π interactions. These results were corroborated and quantified using Hirshfeld surface and fingerprint plot analysis. The most abundant interaction is H···H dispersion (50.2%), followed by C···H (28%) and O···H (10.1%). Lattice energies and energy frameworks for the DAHH compound were also calculated. Finally, the luminescence properties of DAHH were studied.
https://doi.org/10.1016/j.molstruc.2025.145191
@article{Garavito_2026, title={Structural, supramolecular analysis, and photoluminescence properties of a new hydroxybenzohydrazide Schiff base}, volume={1357}, ISSN={0022-2860}, url={http://dx.doi.org/10.1016/j.molstruc.2025.145191}, DOI={10.1016/j.molstruc.2025.145191}, journal={Journal of Molecular Structure}, publisher={Elsevier BV}, author={Garavito, David Oliveros and Pastrana-Dávila, Andrea and Ellena, Javier and Santiago, Pedro H.O. and Rojas, Oscar and Pentlehner, Dominik and Illicachi, Luis A. and D’Vries, Richard}, year={2026}, month=apr, pages={145191} }