Synthesis, crystal structure and ATR-FTIR, FT-Raman and UV-Vis spectroscopic analysis of dihydrochalcone (3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)propan-1-one

Dihydrochalcones are promising structures in medicinal chemistry. They differ from chalcones by the re-duction of unsaturated carbons present in the chalcone structure. In this work, the dihydrochalcone 3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl) propan-1-one (DIHYDROCHAL) was synthesized and char-acterized by single-crystal X-ray Diffraction (XRD), Fourier Transform Raman (FT-Raman), Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR), and Ultraviolet-visible (UV-Vis) spectroscopy. Theoret-ical quantum chemistry calculations were performed to obtain information about the structural, vibra-tional and electronic proprieties of this crystal. The DIHYDROCHAL crystal structure at room temperature belongs to a monoclinic symmetry with space group P2(1)/c and four molecules per unit cell with the fol-lowing structural parameters: a = 9.8661(11) angstrom, b = 5.5235(6) angstrom, c = 24.930(3) angstrom. The crystal structure is stabilized by two intermolecular hydrogen bonds involving chloride and carbonyl (C2-H2 center dot center dot center dot Cl and C8-H8 center dot center dot center dot O1). It is also noted that in the crystallographic a-axis direction, the DIHYDROCHAL molecules are arranged to form layers. (C) 2022 Elsevier B.V. All rights reserved.