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Crystal structure of (2E)-1-(4-eth-oxy-phen-yl)-3-(4-fluoro-phen-yl)prop-2-en-1-one.

ABSTRACT: The title mol-ecule, C₁₇H₁₅FO₂, was synthesized by a Claisen-Schmidt condensation with 4-fluoro-benzaldehyde and 4'-eth-oxy-aceto-phenone. The torsion angles between the 4-fluoro-phenyl ring and the alkene and the 4'-eth-oxy-phenyl ring and the 2-propen-1-one are -1.2 (4) and 1.2 (3)°, respectively; however, there is a larger torsion between the bonds comprising the 2-propen-1-one unit of 12.0 (4)°. The crystal packing is stabilized by inter-molecular C-H⋯O/F hydrogen bonding, π-π stacking, and H-π inter-actions.

SUBMITTER: Bernhard M

PROVIDER: S-EPMC9361380 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of (2E)-1-(4-eth-oxy-phen-yl)-3-(4-fluoro-phen-yl)prop-2-en-1-one.

Bernhard Merle M Lutter Jacob C JC Predecki Allison A

Acta crystallographica. Section E, Crystallographic communications 20220722 Pt 8

The title mol-ecule, C17H15FO2, was synthesized by a Claisen-Schmidt condensation with 4-fluoro-benzaldehyde and 4'-eth-oxy-aceto-phenone. The torsion angles between the 4-fluoro-phenyl ring and the alkene and the 4'-eth-oxy-phenyl ring and the 2-propen-1-one are -1.2 (4) and 1.2 (3)°, respectively; however, there is a larger torsion between the bonds comprising the 2-propen-1-one unit of 12.0 (4)°. The crystal packing is stabilized by inter-molecular C-H⋯O/F hyd ...[more]

PMID: 35974830

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