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Benzophenone-3,3',4,4'-tetracarboxylic acid dihydrate
1Department of Chemistry, Ohio State University, Columbus 43210, USA.
Summary
This study reveals a complex three-dimensional hydrogen-bonding network in a novel compound, featuring intricate cyclic dimers and ordered carboxyl groups. The crystal structure analysis provides insights into molecular interactions and configurations.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Benzophenone derivatives are important in various chemical applications.
- Understanding hydrogen bonding is crucial for predicting crystal structures and material properties.
- Previous studies on dicarboxylic acids provide a basis for comparison.
Purpose of the Study:
- To elucidate the crystal structure of the title compound (C17H10O9,2H2O).
- To characterize the hydrogen-bonding network within the crystal lattice.
- To compare the molecular configuration to related compounds.
Main Methods:
- Single-crystal X-ray diffraction analysis.
- Analysis of hydrogen bond geometry and network topology.
- Comparison of structural parameters with known compounds.
Main Results:
- The compound crystallizes in the centrosymmetric space group P2(1)/a.
- A complex 3D hydrogen-bonding network was observed, involving 19 hydrogen bonds per asymmetric unit.
- The network includes 14-, 18-, and 30-membered cyclic hydrogen-bonded rings.
- Carboxyl hydrogen and oxygen atoms are ordered.
- The benzophenone core and carboxyl group configurations are similar to benzophenone and phthalic acid derivatives.
Conclusions:
- The title compound exhibits a rich and complex three-dimensional hydrogen-bonding network.
- The ordered nature of carboxyl groups and specific ring formations are key structural features.
- The observed structure provides valuable data for understanding supramolecular assembly in related systems.