(5-Bromo-2-chloro-phen-yl)(4-ethoxy-phen-yl)methanone

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure Analysis

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Crystal structure analysis provides precise details on molecular geometry and intermolecular interactions.

Purpose of the Study:

• To elucidate the crystal structure of the molecule C(15)H(12)BrClO(2).
• To characterize the spatial arrangement of the benzene rings and identify intermolecular forces within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided geometric information.
• Identification of intermolecular interactions such as hydrogen bonds was performed.

Main Results:

• The molecule C(15)H(12)BrClO(2) exhibits a specific conformation where the two benzene rings form a dihedral angle of 69.30(3)°.
• Weak intermolecular C-H⋯O hydrogen bonds were identified as the primary linking forces between molecules.
• These hydrogen bonds organize the molecules into chains that propagate along the b axis in the crystal structure.

Conclusions:

• The crystal structure of C(15)H(12)BrClO(2) is characterized by a defined dihedral angle between its benzene rings.
• Intermolecular hydrogen bonding plays a significant role in the self-assembly of this molecule in the solid state.
• The findings contribute to the understanding of structure-property relationships in halogenated organic compounds.