Crystal structure of (2E)-1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Open Access
- 30 June 2018
- journal article
- Published by European Journal of Chemistry in European Journal of Chemistry
- Vol. 9 (2), 147-150
- https://doi.org/10.5155/eurjchem.9.2.147-150.1733
Abstract
The compound, C16H14O3, (except H atoms) is almost planar [r.m.s. deviations for all non-H atoms = 0.001 Å] and the dihedral angle between the aromatic rings is 9.35 (7)°. In the crystal, molecules are linked by intermolecular O—H···O and C—H···O hydrogen bonds, forming a three-dimensional network structure. Furthermore, a weak π-π stacking interactions [centroid-to-centroid distance = 3.7055 (9) Å] contributes to the stabilization of the molecular packing. Crystal Data for C16H14O3 (M = 254.27 g/mol): Orthorhombic, space group Pbca (no. 61), a = 13.4563(16) Å, b = 11.4986(14) Å, c = 16.720(2) Å, V = 2587.1(5) Å3, Z = 8, T = 296(2) K, μ(MoKα) = 0.090 mm-1, Dcalc = 1.306 g/cm3, 61402 reflections measured (4.88° ≤ 2Θ ≤ 56.76°), 3240 unique (Rint = 0.0334, Rsigma = 0.0120) which were used in all calculations. The final R1 was 0.0438 (I≥2σ(I)) and wR2 was 0.1228 (all data).Keywords
This publication has 11 references indexed in Scilit:
- Synthesis and Cytotoxic Activities of a Curcumin Analogue and Its bis- Mannich DerivativesLetters in Drug Design & Discovery, 2015
- Crystal structure of (2E)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-oneActa Crystallographica Section E: Crystallographic Communications, 2014
- Recent developments in biological activities of chalcones: A mini reviewEuropean Journal of Medicinal Chemistry, 2014
- WinGXandORTEP for Windows: an updateJournal of Applied Crystallography, 2012
- Structure validation in chemical crystallographyActa crystallographica. Section D, Structural biology, 2009
- A short history of SHELXActa Crystallographica Section A Foundations of Crystallography, 2007
- (2E)-1-(2-Hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-oneActa Crystallographica Section E: Crystallographic Communications, 2007
- Synthesis of 4′‐Hydroxy‐3′‐piperidinomethylchalcone Derivatives and Their Cytotoxicity Against PC‐3 Cell LinesArchiv der Pharmazie, 2007
- Cytotoxic 5-aryl-1-(4-nitrophenyl)-3-oxo-1,4-pentadienes mounted on alicyclic scaffoldsEuropean Journal of Medicinal Chemistry, 2006
- Cytotoxic Activities of Mannich Bases of Chalcones and Related CompoundsJournal of Medicinal Chemistry, 1998