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Updated: May 10, 2026
06:46
Facile Preparation of (2Z,4E)-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate
Published on: June 21, 2017
(E)-1,5-Di-phenyl-pent-2-en-4-yn-1-one.
Alexander S Bunev1, Vladimir E Statsyuk, Nina V Utekhina
1Department of Chemistry and Chemical Technology, Togliatti State University, 14 Belorusskaya St, Togliatti 445667, Russian Federation.
Summary
This study details the molecular structure of a C17H12O compound, revealing its E conformation and specific torsion and dihedral angles. The crystal structure shows molecules forming zigzag chains through weak hydrogen bonds.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding molecular conformation is crucial for predicting chemical properties and reactivity.
- Crystal packing influences material properties and intermolecular interactions.
- Detailed structural analysis provides fundamental data for further research in organic synthesis and materials science.
Purpose of the Study:
- To elucidate the precise three-dimensional molecular structure of the title compound (C17H12O).
- To characterize the conformation around the C=C bond and the spatial arrangement of its aromatic fragments.
- To investigate the intermolecular interactions and crystal packing in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, torsion angles, and dihedral angles provided conformational details.
- Identification and analysis of intermolecular interactions, such as C-H⋯O hydrogen bonds, were performed.
Main Results:
- The title compound, C17H12O, exhibits an E conformation about its central C=C bond.
- A specific C-C-C-C torsion angle of 7.7(2)° was measured.
- The dihedral angle between the phenyl-ethyl-enone and phenyl-acetylene fragments was determined to be 14.16(7)°.
- Molecules are linked into zigzag chains via weak C-H⋯O interactions within the crystal lattice.
Conclusions:
- The study provides a comprehensive structural characterization of the C17H12O compound.
- The observed conformation and crystal packing offer insights into the molecule's behavior in the solid state.
- The identified weak interactions highlight potential supramolecular assembly pathways.
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