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1-(5-Bromo-2-hydr-oxy-4-methoxy-phen-yl)ethanone.
Summary
The crystal structure of a novel brominated ethanone derivative was elucidated. Molecular conformation is stabilized by intramolecular hydrogen bonding and intermolecular pi-pi interactions between aromatic rings.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding molecular conformation and intermolecular forces is crucial in crystal engineering.
- Aromatic compounds with specific functional groups exhibit unique packing behaviors.
Purpose of the Study:
- To determine the crystal structure of the title compound, C(9)H(9)BrO(3).
- To analyze the molecular conformation and identify stabilizing interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction analysis was performed.
- The dihedral angle between the ethanone group and the aromatic ring was measured.
- Intramolecular hydrogen bonding and intermolecular pi-pi interactions were investigated.
Main Results:
- The dihedral angle between the ethanone group and the aromatic ring was found to be 3.6(2)°.
- An intramolecular O-H⋯O hydrogen bond was identified, stabilizing the molecular conformation.
- The crystal structure is further stabilized by pi-pi interactions between benzene rings with a centroid-centroid distance of 3.588(2) Å.
Conclusions:
- The study provides detailed structural insights into the C(9)H(9)BrO(3) compound.
- Intramolecular hydrogen bonding and pi-pi stacking are key factors governing the crystal packing and stability.
- This structural information can be valuable for designing related organic materials.
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