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Methyl 2-oxo-2H-chromene-3-carboxyl-ate
Aamer Saeed1, Aalia Ibrar, Muhammad Arshad
1Department of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan.
Acta Crystallographica. Section E, Structure Reports Online
|November 6, 2012
Summary
This study reveals the molecular structure of C(11)H(8)O(4), showing an almost planar molecule. In crystal form, these molecules create 2D networks through C-H⋯O hydrogen bonds.
Area of Science:
- Crystallography
- Molecular structure determination
- Supramolecular chemistry
Background:
- Understanding molecular geometry is crucial in chemistry.
- Hydrogen bonding plays a key role in crystal engineering.
- The study of organic compounds provides insights into material properties.
Purpose of the Study:
- To determine the precise molecular and crystal structure of the title compound C(11)H(8)O(4).
- To investigate the intermolecular interactions governing crystal packing.
- To characterize the supramolecular architecture formed in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the crystal structure.
- Analysis of atomic coordinates and bond lengths/angles.
- Identification and analysis of hydrogen bonding interactions (C-H⋯O).
Main Results:
- The title compound C(11)H(8)O(4) exhibits an almost planar molecular conformation (r.m.s. deviation = 0.033 Å).
- Molecules are interconnected by C-H⋯O hydrogen bonds.
- A two-dimensional network structure parallel to the (1-21) plane was observed in the crystal.
Conclusions:
- The crystal structure of C(11)H(8)O(4) is characterized by planar molecules and extensive hydrogen bonding.
- These interactions lead to the formation of robust 2D supramolecular networks.
- The findings contribute to the understanding of crystal packing and design principles for organic materials.
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