Crystal structure of the chalcone (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one

Abstract

The crystal packing of the compound is described by an inter­molecular arrangement with the mol­ecules as inter­laced layers in a zigzag fashion, denoting inter­acting self-complementary dimers mainly by the localization of weak hydrogen bonds in a head-to-tail arrangement.

Synthesis, Structure and In Vitro Anti-Trypanosomal Activity of Non-Toxic Arylpyrrole-Based Chalcone Derivatives

“…From the structure of 10e, bond lengths and bond angles are comparable to chalcone derivatives, which have been reported in the literature [48]. The existence of an α,β-unsaturated ketone is further confirmed by short O(2A)-C(7A) and C(8A)-C(9A) bond lengths of 1.244(7) Å and 1.359(6) Å, respectively; and bond angles O(2A)-C(7A)-C(8A) and C(7A)-C(8A)-C(9A) of 121.2 5• and 120.8(4) • , respectively.…”

“…The crystal packing (Figure 4) of the molecule is stabilized by π-π stacking interactions between phenyl rings (A) and between the phenyl and pyrrole rings (B). The centroid-to-centroid distances (A,B) are approximately 3.927(3) Å and 3.731(2) Å, which further confirms the intermolecular π-π stacking interactions between chalcone molecules in the crystal structure [48]. Additionally, the supramolecular assembly is supported by weak C-H⋅⋅⋅π and C-F⋅⋅⋅π interactions between the trifluorophenyl ring moieties of the arylpyrrole (C) [C(21A)-H(21A)⋅⋅⋅π is 2.95 Å and C(22A)-F(2A)⋅⋅⋅π is 3.32(1) Å].…”

Design, Synthesis, In silico and In Vitro Anticancer Activity of Novel Bis‐Furanyl‐Chalcone Derivatives Linked through Alkyl Spacers

“…These types of compounds that can be obtained directly by aldol reactions under basic conditions are considered as key precursors for flavonoid and isoflavonoid syntheses. [1][2][3][4][5][6][7][8] Different studies showed that chalcone compounds display a wide extend of biological activities including medicinal and pharmacological activities, such as antioxidant, antiviral, cytotoxic, antitubercular, anti-inflammatory, antimalarial, anticancer, antimicrobial, and antileishmanial. [7,[9][10][11] Chalcones, in particular, display varying levels of inhibition during the proliferative processes in different cancer cell lines.…”

“…Chalcones, structurally, are 1,3‐diaryl‐2‐propen‐1‐ones in which a two aromatic rings (ring A and ring B, Figure 1), are joined by a three‐carbon α , β ‐unsaturated carbonyl system as depicted in Figure 1. These types of compounds that can be obtained directly by aldol reactions under basic conditions are considered as key precursors for flavonoid and isoflavonoid syntheses [1–8] …”

Conformational and Vibrational Analysis of Chalcone (E)-3-(Furan-2-yl)-1-Phenylprop-2-en-1-one by Density Functional Theory and ab initio Hartree-Fock

“…Crystal structure of molecule (1) were determined experimentally using X-ray structure analysis and spectroscopic methods (Vazquez-Vuelvas et al, 2015) but molecular properties such as electronic energy, conformation and vibration analysis of title molecule have not been determined. In this work, molecular structure, dipole moment, vibrational frequency, the electronic structure and HOMO-LUMO energies of above-mentioned molecule have been studied.…”