Related Experiment Videos
3-Methyl-benzo[1,2-c:5,4-c']dichromen-6(8H)-one
M Kayalvizhi1, G Vasuki1, Adil I Khatri2
1Department of Physics, Kunthavai Naachiar Government Arts College (W) (Autonomous), Thanjavur 613 007, Tamilnadu, India.
Acta Crystallographica. Section E, Structure Reports Online
|September 25, 2014
Summary
This study details the crystal structure of C21H14O3, revealing eight independent molecules. These molecules form a three-dimensional network through hydrogen bonds and C-H⋯π interactions, highlighting complex molecular packing in the solid state.
Area of Science:
- Crystallography
- Organic Chemistry
- Solid-State Chemistry
Background:
- Understanding molecular arrangement in crystals is crucial for predicting material properties.
- The title compound, C21H14O3, presents an interesting case for structural analysis due to its complex molecular structure.
Purpose of the Study:
- To elucidate the crystal structure of C21H14O3.
- To investigate the intermolecular interactions governing the solid-state arrangement of the molecules.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of molecular conformation and intermolecular contacts (hydrogen bonds, C-H⋯π interactions) was performed.
Main Results:
- C21H14O3 crystallizes with eight independent molecules in the asymmetric unit.
- The pyran-2-one ring is planar, while the pyran ring adopts a screw-boat conformation.
- Molecules form two distinct columns in the crystal, linked by C-H⋯O hydrogen bonds and C-H⋯π contacts, resulting in a 3D network.
Conclusions:
- The study provides a detailed structural characterization of C21H14O3.
- Intermolecular interactions play a significant role in the formation of a stable three-dimensional crystal network.
Keywords:
crystal structure