Crystal structure of (2<i>E</i>)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

Sathya, S.; Jonathan, D. Reuben; Prathebha, K.; Jovita, J.; Usha, G.

doi:10.1107/s1600536814021953

Cited by 2 publications

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“…The aromatic rings (C2-C7 and C11-C16) makes a dihedral angle of 9.35 (7)° with each other. The values of the geometric parameters are normal and comparable with those previously reported for the related structures in literature [16][17][18].…”

Section: Description Of Crystal Structure Of Compound Isupporting

confidence: 76%

Crystal structure of (2E)-1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

et al. 2018

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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).

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Section: Description Of Crystal Structure Of Compound Isupporting

confidence: 76%

Crystal structure of (2E)-1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

et al. 2018

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“…The title compound was synthesized following the published procedure, which uses the acidcatalyzed Claisen-Schmidt reaction [16,17].The chemicals were purchased from Sigma Aldrich, Chennai, Tamilnadu, India, and used as such without any further purification. Dry HCl gas was made to pass through a well-cooled and stirred solution of 4-hydroxyacetophenone (0.05mol) and 4-hydroxy-3-ethoxybenzaldehyde (0.05mol) in 120 ml of absolute alcohol taken in a 250 Ml round-bottomed flask for a time frame of one hour which aids forming wine red colored solution.…”

Section: Synthesis Of the Compound (2e)-3-(4-hydroxy-3-ethoxyphenyl)-1-(4-hydroxyphenyl) Prop-2-en-1-one (Hehp)mentioning

confidence: 99%

Investigation on Chemical, Physical and Biological Assets of a Pioneering biomolecule: (2e)-3-(4-Hydroxy-3-Ethoxyphenyl)-1-(4-Hydroxyphenyl) Prop-2-En-1-One

Vasanthi

Jonathan

Sathya

et al. 2020

CSIJ

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A chalcone derivative, (2E)-3-(4-hydroxy-3-ethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one (HEHP), C17 H16 O4, has been synthesized from the mixture of 4-hydroxyacetophenone (0.05mol) and 4-hydroxy-3-ethoxybenzaldehyde (0.05mol) and by following Claisen-Schmidt reaction mechanism. Three-dimensional molecular structure, orthorhombic crystal system, and Pbca space group for the title compound were elucidated via single crystal XRD spectral study. The appearance of the vibration and absorptions for functional groups were identified using the FT-IR spectrum. 1H and 13CNMR spectra were recorded to recognize the number of unique protons and carbon environments and the best estimation of functionality based on shielding/ deshielding effects. The UV-Visible spectral study gives assistance to appreciate the absorbance and transmittance capabilities of the title molecule while Photoluminescence (PL) spectrum of the compound indicates the blue light emission in the visible region. Information regarding the endothermic and exothermic processes correlated with the sample was obtained from TG/DTA thermal analysis and the material was found to be stable up to 216°C. Mechanical properties such as the Hardness (HV), Meyer's index (n), Newtonian resistance pressure (W), load independent constant (b) and elastic stiffness constant (Cij) were calculated by performing a Vickers hardness test on the compound and they demonstrate excellent mechanical power. The as-synthesized molecule has been screened for its antibacterial, antifungal, and antioxidant activities and observed to exhibit promising activity against various microorganisms

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Crystal structure of (2E)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

Cited by 2 publications

References 11 publications

Crystal structure of (2E)-1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

Crystal structure of (2E)-1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

Investigation on Chemical, Physical and Biological Assets of a Pioneering biomolecule: (2e)-3-(4-Hydroxy-3-Ethoxyphenyl)-1-(4-Hydroxyphenyl) Prop-2-En-1-One

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