(E)-1-(5-Bromo-2-hy-droxy-phen-yl)-3-[4-(dimethyl-amino)-phen-yl]prop-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 properties and reactivity.
• Crystal structure analysis provides fundamental insights into intermolecular forces and solid-state behavior.

Purpose of the Study:

• To elucidate the crystal structure of the organic compound C(17)H(16)BrNO(2).
• To analyze the molecular geometry, including dihedral angles and hydrogen bonding interactions.
• To investigate the supramolecular assembly in the solid state.

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 was performed.
• Identification of intermolecular interactions, such as hydrogen bonds and C-H···O contacts, was conducted.

Main Results:

• The crystal structure of C(17)H(16)BrNO(2) was successfully determined.
• A dihedral angle of 7.4(3)° was observed between the two benzene rings.
• An intramolecular O-H···O hydrogen bond was identified, linking the hydroxyl and carbonyl groups.
• Weak C-H···O interactions were found to mediate the formation of a supramolecular chain along the c-axis.

Conclusions:

• The study provides a detailed structural characterization of C(17)H(16)BrNO(2) in the solid state.
• The observed intramolecular hydrogen bonding and intermolecular interactions dictate the crystal packing and supramolecular architecture.
• These findings contribute to the understanding of structure-property relationships in related organic compounds.