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Crystal structure of (2E)-1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Fatma Yesilyurt (1)
, Abdullah Aydin (2,*) , Halise Inci Gul (3) , Mehmet Akkurt (4) , Nefise Dilek Ozcelik (5) (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 | Revised: 25 May 2018 | Accepted: 25 May 2018 | Published: 30 Jun 2018 | Issue Date: June 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 (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
DOI: 10.5155/eurjchem.9.2.147-150.1733
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Funding information
Aksaray University, Science and Technology Application and Research Center, Aksaray, Turkey, for the use of the Bruker SMART BREEZE CCD diffractometer (Grant No. 2010K120480 of the State of Planning Organization)
Citations
[1]. Zhiyin Yu, Hao Jiang, Li Wang, Feng-Xian Yang, Jian-Ping Huang, Chongxi Liu, Xiaowei Guo, Wensheng Xiang, Sheng-Xiong Huang
Dimeric Pimprinine Alkaloids From Soil-Derived Streptomyces sp. NEAU-C99
Frontiers in Chemistry 8, , 2020
DOI: 10.3389/fchem.2020.00095
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DOI Link: https://doi.org/10.5155/eurjchem.9.2.147-150.1733
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European Journal of Chemistry 2018, 9(2), 147-150 | doi: https://doi.org/10.5155/eurjchem.9.2.147-150.1733 | Get rights and content
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