Synthesis, crystal structure, hydrogen bond patterns and Hirshfeld surface analysis of (S)-5-(4-hydroxybenzyl)-imidazolidine-2,4‑dione

• Crystal structure of a new α-amino acid hydantoin derivative was determined from single-crystal X-ray diffraction data. • The MS, FT-IR and NMR spectra spectroscopy results are consistent with the structure of the title compound. • Intermolecular interactions were examined using X-ray diffraction results and compared with those obtained by hirshfeld surface analysis, energy framework calculations, and topology analysis. The title compound, ( S )-5-(4-hydroxybenzyl)-imidazolidine-2,4‑dione, a new α-amino acid hydantoin derivative with formula C 10 H 10 N 2 O 3 has been synthesized and structurally characterized by MS, FT-IR, NMR, and X-ray diffraction techniques. Spectroscopy results are consistent with the skeleton structure. The powder X-ray diffraction data confirms the phase purity of the crystalline sample. Single-crystal X-ray diffraction analysis indicated that crystallizes in the orthorhombic space group P 2 1 2 1 2 1 (N°19), Z = 4, and unit cell parameters a = 6.217(3) Å, b = 7.653(3) Å, c = 19.824(8) Å. The molecular structure and crystal packing are stabilized by intermolecular N–H···O and O–H···O hydrogen formed infinite two-dimensional chains, with graph-set C(6), C(5) and C(11) that run along the a, b and c directions forming a two-dimensional network. Hirshfeld surface analysis confirm that the most important contributions for the crystal packing are from N–H··O and O–H··O interactions. Energy framework calculations suggest that the contacts formed between molecules are slightly electrostatic and revealed that interactions exhibit approximately complex zig-zag shape topology in the crystal structure.