4-Bromo-2-(dieth-oxy-meth-yl)phenyl benzoate.

Area of Science:

• Crystallography
• Organic Chemistry
• Solid-State Chemistry

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Crystal structure analysis provides precise atomic coordinates and insights into intermolecular interactions.

Purpose of the Study:

• To characterize the crystal structure of the title compound, C18H19BrO4.
• To determine the spatial relationship between the aromatic rings within the crystal lattice.
• To investigate the presence of short directional contacts in the crystal structure.

Main Methods:

• Single-crystal X-ray diffraction was employed to collect diffraction data.
• The crystal structure was solved and refined using standard crystallographic software.
• Intermolecular contacts were analyzed based on atomic distances and coordination numbers.

Main Results:

• The crystal structure of C18H19BrO4 was successfully determined.
• A significant dihedral angle of 81.9(7)° was measured between the aromatic rings.
• No short directional contacts were identified within the crystal structure.

Conclusions:

• The determined crystal structure provides a precise geometric description of C18H19BrO4.
• The observed dihedral angle suggests a specific conformation adopted by the molecule in the solid state.
• The absence of short directional contacts indicates limited specific intermolecular interactions in this crystal packing.