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Mol-ecular structure, DFT studies and UV-Vis absorption of two new linear fused ring chalcones: (E)-1-(anthracen-9-yl)-3-(2-meth-oxy-phen-yl)prop-2-en-1-one and (E)-1-(anthracen-9-yl)-3-(3-fluoro-4-meth-oxy-phen-yl)prop-2-en-1-one.
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ABSTRACT:
SUBMITTER: Zainuri DA
PROVIDER: S-EPMC6072983 | biostudies-literature | 2018 Aug
REPOSITORIES: biostudies-literature
Publications
Mol-ecular structure, DFT studies and UV-Vis absorption of two new linear fused ring chalcones: (<i>E</i>)-1-(anthracen-9-yl)-3-(2-meth-oxy-phen-yl)prop-2-en-1-one and (<i>E</i>)-1-(anthracen-9-yl)-3-(3-fluoro-4-meth-oxy-phen-yl)prop-2-en-1-one.
Acta crystallographica. Section E, Crystallographic communications 20180713 Pt 8
The title compounds, C<sub>24</sub>H<sub>18</sub>O<sub>2</sub> and C<sub>24</sub>H<sub>17</sub>FO<sub>2</sub>, were synthesized using the Claisen-Schmidt condensation method and characterized by UV-Vis spectroscopy. Weak inter-molecular C-H⋯O, C-H⋯π and π-π hydrogen-bonding inter-actions help to stabilize the crystal structures of both compounds. The geometrical parameters obtained from the mol-ecular structure were optimized using density functional theory (DFT) calculations at the B3LYP/6-311+ ...[more]