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Ethyl 3-benzoyl-2-hydroxy-prop-2-enoate
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study reveals the crystal structure of a C(12)H(12)O(4) compound. Molecules form one-dimensional chains through intermolecular hydrogen bonds, with a 14° dihedral angle between the phenyl ring and side chain.
Area of Science:
- Crystallography
- Molecular structure analysis
- Organic chemistry
Background:
- Understanding molecular interactions is crucial in crystal engineering.
- Hydrogen bonding plays a significant role in dictating crystal packing and properties.
- Previous studies have explored various organic compounds with potential for self-assembly.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(12)H(12)O(4).
- To investigate the role of intra- and intermolecular interactions in the formation of crystal structures.
- To analyze the dihedral angle between the phenyl ring and the side chain.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of hydrogen bonding networks, including intra- and intermolecular interactions.
- Geometric analysis of the dihedral angle between the phenyl ring and the side chain.
Main Results:
- The crystal structure of C(12)H(12)O(4) was determined.
- A significant dihedral angle of approximately 14° was observed between the phenyl ring and the side chain mean plane.
- Molecules exhibit an intramolecular O-H⋯O hydrogen bond.
- Weak C-H⋯O intermolecular hydrogen bonds link molecules into infinite one-dimensional chains.
Conclusions:
- The crystal structure is characterized by a specific dihedral angle and intramolecular hydrogen bonding.
- Intermolecular C-H⋯O interactions are responsible for the formation of 1D chain systems.
- The findings contribute to the understanding of crystal packing in organic compounds.
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