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06:46
Facile Preparation of (2Z,4E)-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate
Published on: June 21, 2017
7-Meth-oxy-2-phenyl-chroman-4-one.
Agata Piaskowska1, Maciej Hodorowicz, Wojciech Nitek
1Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow, Poland.
Acta Crystallographica. Section E, Structure Reports Online
|February 21, 2013
Summary
The crystal structure of C(16)H(14)O(3) reveals static disorder in key atoms and the phenyl ring. Analysis identified significant pi-pi and C-H pi interactions within the crystal packing.
Area of Science:
- Crystallography
- Materials Science
- Organic Chemistry
Background:
- Understanding molecular structure and interactions is crucial in materials science.
- Crystal packing influences material properties.
- Disorder in crystal structures can impact physical characteristics.
Purpose of the Study:
- To characterize the crystal structure of the title compound, C(16)H(14)O(3).
- To investigate the nature and extent of static disorder within the crystal lattice.
- To analyze the intermolecular interactions governing crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Crystallographic data analysis was used to identify and quantify atomic disorder.
- Intermolecular interactions, including pi-pi and C-H...pi interactions, were analyzed based on structural parameters.
Main Results:
- The crystal structure of C(16)H(14)O(3) was successfully determined.
- Static disorder was observed in the ring oxygen atom, adjacent non-fused carbon atoms, and the attached phenyl ring, with a specific occupancy ratio.
- The crystal packing is characterized by notable pi-pi interactions with a centroid-centroid distance of 3.912(1) Å and C-H...pi interactions.
Conclusions:
- The study provides detailed crystallographic insights into the title compound.
- The identified static disorder offers a deeper understanding of its structural complexity.
- The observed intermolecular interactions highlight key factors influencing the compound's solid-state arrangement.
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