Data articleSynthesis, crystal structures and Hirshfeld surface studies of chalcone derivatives: (2E)-1-(4-2, 4-Dichlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one and (2E)-1-(4-Fluorophenyl)-3-[4-(propan-2-yl) phenyl] prop-2-en-1-one

Add time:08/22/2019    Source:sciencedirect.com

The title compounds (2E)-1-(4-2,4-dichlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one (I) and 2E)-1-(4-fluorophenyl)-3-[4-(propan-2-yl) phenyl]prop-2-en-1-one (II), have been synthesized by the base catalyzed Claisen-Schmidt condensation reaction of 4-(propan-2-yl)benzaldehyde with substituted acetophenones. The synthesized compounds were characterized by FT-IR, elemental analysis and single crystal X-ray diffraction. In I and II, the dihedral angle between the terminal rings are 54.68 (19)° and 53.42 (8)°, respectively. The intra molecular hydrogen bond of the type CH⋯O is observed in both the title compounds. The crystal structure is stabilized through CO⋯π (I) and CF⋯π (II) weak intermolecular interactions. Hirshfeld surfaces analysis computational method was carried to quantify the intermolecular interactions. The 2D finger print plots and electrostatic potential were plotted to evidence the intermolecular interactions.

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