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5,8-dimethoxynaphthalene-1,6-dicarboxylic acid
1Department of Chemistry, Ohio State University, Columbus 43210, USA. gerkin@chemistry.ohio-state.edu
Acta Crystallographica. Section C, Crystal Structure Communications
|February 12, 1998
Summary
This study reveals a novel crystal structure for C14H12O6, featuring extensive hydrogen bonding that forms intricate chain patterns. The molecule links to six neighbors, showcasing unique intermolecular interactions beyond typical cyclic dimers.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Understanding intermolecular forces is crucial for predicting material properties.
- Hydrogen bonding plays a significant role in crystal packing and molecular assembly.
- The title compound's crystal structure was previously uncharacterized.
Purpose of the Study:
- To elucidate the crystal structure of the title compound (C14H12O6).
- To investigate the hydrogen bonding network and intermolecular interactions.
- To characterize the resulting supramolecular architecture.
Main Methods:
- Single-crystal X-ray diffraction analysis.
- Analysis of hydrogen bond geometry (Odonor...Oacceptor distances).
- Identification and analysis of C-H...O interactions.
Main Results:
- The compound crystallizes in the centrosymmetric space group Pbca.
- A rich pattern of chains is formed through eight hydrogen bonds linking each molecule to six neighbors.
- Nine distinct chain patterns were observed, propagating along the a and c directions.
- Attractive C-H...O interactions and ordered carboxylic groups were identified.
Conclusions:
- The crystal structure of C14H12O6 exhibits an unusual hydrogen bonding network leading to complex chain formations.
- The identified interactions, including C-H...O bonds, contribute significantly to the overall crystal packing.
- This detailed structural analysis provides insights into the supramolecular assembly of organic molecules.