Benzene-1,3,5-tricarbonyl trichloride

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Interactions

Background:

• Understanding intermolecular forces is crucial in crystal engineering.
• Benzene derivatives exhibit diverse packing motifs based on functional groups.

Purpose of the Study:

• To investigate the specific short-range interactions in the title molecule C(9)H(3)Cl(3)O(3).
• To characterize the crystal packing and intermolecular forces present.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of short contacts between atoms was performed.

Main Results:

• Three significant short interactions were identified between benzene hydrogen atoms and chloro-formyl chlorine atoms.
• The crystal structure exhibits molecular stacking along the a axis.
• No significant non-bonded intermolecular interactions were observed in the crystal lattice.

Conclusions:

• The identified short contacts play a role in the molecular arrangement within the crystal.
• The crystal packing is primarily driven by these specific interactions, leading to a columnar arrangement.