2-(4-Bromo-phen-yl)-N-(2-methoxy-phen-yl)acetamide

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties.
• Crystal structure analysis provides detailed insights into molecular conformation and intermolecular forces.
• Bromo-phenyl acetamide derivatives are of interest due to their potential applications in various chemical fields.

Purpose of the Study:

• To elucidate the crystal structure of the compound C(15)H(14)BrNO(2).
• To determine the molecular conformation, including dihedral angles between key fragments.
• To identify and characterize intermolecular interactions governing crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided conformational data.
• Intermolecular interactions such as hydrogen bonds and C-H⋯π contacts were identified using crystallographic data.

Main Results:

• The crystal structure of C(15)H(14)BrNO(2) was successfully determined.
• A significant dihedral angle of 76.55° was observed between the 4-bromo-phenyl fragment and the acetamide unit.
• A dihedral angle of 50.88° was found between the two benzene rings.
• Intermolecular N-H⋯O hydrogen bonds and C-H⋯π contacts were identified as the primary forces driving crystal assembly.
• These interactions lead to the formation of one-dimensional chains propagating along the [100] direction.

Conclusions:

• The study provides a detailed molecular and crystal structure of the title compound.
• The observed dihedral angles highlight the specific spatial arrangement of the aromatic and acetamide moieties.
• The identified intermolecular interactions explain the observed crystal packing and chain formation, offering insights into structure-property relationships.