2,5-Dibromo-terephthalic acid dihydrate.

Area of Science:

• Crystallography
• Materials Science
• Organic Chemistry

Background:

• 2,5-dibromo-terephthalic acid (DBTA) is an organic compound with potential applications in materials science.
• Understanding the crystal structure of DBTA is crucial for predicting and controlling its properties.

Purpose of the Study:

• To determine the crystal structure of 2,5-dibromo-terephthalic acid dihydrate (C(8)H(4)Br(2)O(4)·2H(2)O).
• To analyze the intermolecular interactions and packing in the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was used to elucidate the molecular and crystal structure.
• Analysis of the asymmetric unit composition and symmetry elements.

Main Results:

• The asymmetric unit contains one half-molecule of DBTA and one water molecule.
• The DBTA molecule exhibits centrosymmetry.
• Intermolecular O-H⋯O hydrogen bonds were identified as the primary driving force for crystal packing.
• A three-dimensional framework structure is formed through these hydrogen bonds.

Conclusions:

• The crystal structure of 2,5-dibromo-terephthalic acid dihydrate has been successfully determined.
• The hydrogen bonding network dictates the formation of a stable 3D framework.
• This structural information is vital for further research into DBTA-based materials.