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Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

This study details the crystal structure of a C(15)H(15)Br(2) molecule, revealing its planar atomic arrangement and weak π-π interactions. These interactions influence molecular stacking along the crystal

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Area of Science:

Crystallography
Solid-state chemistry
Organic chemistry

Background:

Understanding molecular structure and intermolecular forces is crucial in solid-state chemistry.
Crystal symmetry dictates atomic arrangements and influences material properties.

Purpose of the Study:

To elucidate the crystal structure of the title molecule C(15)H(15)Br(2).
To investigate the crystallographic symmetry and atomic planarity.
To identify and analyze intermolecular interactions within the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the crystal structure.
Crystallographic analysis was performed to ascertain site symmetry and atomic positions.
Intermolecular distances and interactions (e.g., π-π stacking) were measured and analyzed.

Main Results:

The molecule C(15)H(15)Br(2) exhibits m2m crystallographic site symmetry.
All atoms, excluding methyl groups, were found to be coplanar.
Weak π-π interactions were observed between symmetry-related molecules with a centroid-centroid distance of 3.8409(15) Å.
Molecules were observed to stack along the c axis.

Conclusions:

The crystal structure of C(15)H(15)Br(2) is characterized by high symmetry and planarity.
Weak π-π interactions play a role in the self-assembly and packing of these molecules in the solid state.
The observed stacking along the c axis is a consequence of these intermolecular forces.