Related Experiment Video
Updated: May 22, 2026
14:11
Synthesis of pH Dependent Pyrazole, Imidazole, and Isoindolone Dipyrrinone Fluorophores using a Claisen-Schmidt Condensation Approach
Published on: June 10, 2021
5,6-Dimethyl-4-phenyl-2H-pyran-2-one
Hai-Yun Xu1, Sheng-Hai Guo, Kun Li
1School of Chemistry and Environmental Science, Henan Key Laboratory for Environmental Pollution Control, Henan Normal University, Xinxiang, Henan 453007, People's Republic of China.
Summary
This study details the crystal structure of a C13H12O2 compound. Molecules form networks through pi-pi stacking and C-H...O interactions, influencing crystal packing.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding molecular interactions is key to predicting material properties.
- Crystal engineering utilizes non-covalent interactions to design functional materials.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of the title compound C13H12O2.
- To analyze the role of pi-pi stacking and C-H...O interactions in the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was used to determine the molecular and crystal structure.
- Analysis of intermolecular distances and angles to identify significant interactions.
Main Results:
- The dihedral angle between the pyran-one and phenyl rings is 57.55(9)°.
- Molecules are linked by pi-pi stacking interactions between pyran-one rings (3.5778(11) Å and 3.3871(11) Å).
- C-H...O interactions were also observed in the crystal lattice.
Conclusions:
- The crystal structure is stabilized by a combination of pi-pi stacking and C-H...O interactions.
- These interactions dictate the overall supramolecular architecture and packing of the C13H12O2 molecules.
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