European Journal of Chemistry 2018, 9(2), 147-150. doi:10.5155/eurjchem.9.2.147-150.1733

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


Fatma Yesilyurt (1) orcid , Abdullah Aydin (2,*) orcid , Halise Inci Gul (3) orcid , Mehmet Akkurt (4) orcid , Nefise Dilek Ozcelik (5) orcid

(1) Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ataturk University, 25240 Erzurum, Turkey
(2) Department of Mathematics and Science Education, Faculty of Education, Kastamonu University, 37200 Kastamonu, Turkey
(3) Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ataturk University, 25240 Erzurum, Turkey
(4) Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey
(5) Department of Physics, Arts and Sciences Faculty, Aksaray University, 68100 Aksaray, Turkey
(*) Corresponding Author

Received: 11 May 2018, Accepted: 25 May 2018, Published: 30 Jun 2018

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 (= 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, = 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


Chalcones; π-π Stacking; Aromatic ring; Methoxyphenyl; Crystal structure; Geometric parameter

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DOI: 10.5155/eurjchem.9.2.147-150.1733

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How to cite


Yesilyurt, F.; Aydin, A.; Gul, H.; Akkurt, M.; Ozcelik, N. Eur. J. Chem. 2018, 9(2), 147-150. doi:10.5155/eurjchem.9.2.147-150.1733
Yesilyurt, F.; Aydin, A.; Gul, H.; Akkurt, M.; Ozcelik, N. Crystal structure of (2E)-1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one. Eur. J. Chem. 2018, 9(2), 147-150. doi:10.5155/eurjchem.9.2.147-150.1733
Yesilyurt, F., Aydin, A., Gul, H., Akkurt, M., & Ozcelik, N. (2018). Crystal structure of (2E)-1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one. European Journal of Chemistry, 9(2), 147-150. doi:10.5155/eurjchem.9.2.147-150.1733
Yesilyurt, Fatma, Abdullah Aydin, Halise Inci Gul, Mehmet Akkurt, & Nefise Dilek Ozcelik. "Crystal structure of (2E)-1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one." European Journal of Chemistry [Online], 9.2 (2018): 147-150. Web. 22 Nov. 2019
Yesilyurt, Fatma, Aydin, Abdullah, Gul, Halise, Akkurt, Mehmet, AND Ozcelik, Nefise. "Crystal structure of (2E)-1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one" European Journal of Chemistry [Online], Volume 9 Number 2 (30 June 2018)

DOI Link: https://doi.org/10.5155/eurjchem.9.2.147-150.1733

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