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2,6-diphenylpyridine-4-carboxylic acid
Alessandra Crispini1, Francesco Neve
1Dipartimento di Chimica, Universitá della Calabria, 87030 Arcavacata di Rende, CS, Italy.
Acta Crystallographica. Section C, Crystal Structure Communications
|January 10, 2002
Summary
The crystal structure of 2,6-diphenylpyridine-4-carboxylic acid reveals hydrogen bonds forming cyclic dimers. Molecules also show pi-pi stacking, indicating strong intermolecular interactions in this organic compound.
Area of Science:
- Crystal chemistry
- Organic chemistry
- Supramolecular chemistry
Background:
- Understanding the intermolecular forces governing crystal packing is crucial for predicting material properties.
- 2,6-diphenylpyridine-4-carboxylic acid is an organic molecule with potential applications in materials science.
Purpose of the Study:
- To elucidate the crystal structure of 2,6-diphenylpyridine-4-carboxylic acid.
- To identify and characterize the key intermolecular interactions present in the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of the crystal structure focused on identifying hydrogen bonding and pi-pi stacking interactions.
Main Results:
- The crystal structure is characterized by the formation of centrosymmetric cyclic dimers through intermolecular O-H...O hydrogen bonds, exhibiting an R2(2)(8) topology.
- Strong pi-pi stacking interactions were observed between translationally related molecules along the b axis, with an average interplanar distance of 3.3 Å.
- The chemical formula was confirmed as C18H13NO2.
Conclusions:
- The crystal packing of 2,6-diphenylpyridine-4-carboxylic acid is dominated by a combination of hydrogen bonding and pi-pi stacking.
- These intermolecular interactions dictate the formation of specific supramolecular architectures, such as cyclic dimers and stacked layers.