(E)-1-(4-Bromo-phen-yl)but-2-en-1-one.

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their chemical behavior and physical properties.
• Bromo-phenyl compounds with unsaturated side chains represent a class of molecules with potential applications in materials science and medicinal chemistry.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C10H9BrO.
• To analyze the spatial arrangement and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of crystallographic data to identify key structural features and intermolecular forces.

Main Results:

• The crystal structure of C10H9BrO was determined, revealing a para-substituted bromo-phenyl core linked to an unsaturated carbonyl side chain.
• The dihedral angle between the aryl ring and the unsaturated side chain was found to be 29.12(16)°.
• Intermolecular cohesion in the crystal is primarily governed by π-π stacking and C-H⋯O interactions.

Conclusions:

• The determined crystal structure provides fundamental insights into the solid-state behavior of this bromo-phenyl derivative.
• The identified intermolecular interactions highlight the factors contributing to the compound's crystal packing and stability.