2-(3-Bromo-prop-yl)isoindoline-1,3-dione

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Phthalimide derivatives are important scaffolds in medicinal chemistry and materials science.
• Understanding the solid-state structure of novel compounds is crucial for predicting their properties and reactivity.

Purpose of the Study:

• To elucidate the three-dimensional molecular structure of the title compound, C(11)H(10)BrNO(2).
• To investigate the conformational preferences and intermolecular interactions in the solid state.

Main Methods:

• Single-crystal X-ray diffraction analysis was performed.
• The crystal structure was solved and refined to determine atomic coordinates and bond parameters.

Main Results:

• The dihedral angle between the five- and six-membered rings of the phthalamide system was found to be 1.00(16)°.
• The molecule adopts a nearly planar conformation, indicating minimal deviation from planarity within the phthalamide core.
• Only weak van der Waals forces were identified as significant intermolecular interactions, suggesting limited crystal packing influences.

Conclusions:

• The title compound exhibits a highly planar phthalamide core in the solid state.
• The crystal packing is dominated by weak van der Waals interactions, which may influence bulk material properties.