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Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study reveals the crystal structure of C(12)H(12)O(5), detailing how molecules form one-dimensional chains through hydrogen bonds and are further stabilized by pi-pi interactions.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Understanding molecular interactions is crucial for materials science.
- Crystal engineering relies on predicting and controlling intermolecular forces.
- The compound C(12)H(12)O(5) presents an interesting case for studying hydrogen bonding and pi-pi interactions.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(12)H(12)O(5).
- To investigate the role of intermolecular forces in the assembly of this compound.
- To characterize the specific types and geometries of interactions present in the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of the crystal packing revealed the presence of hydrogen bonds and pi-pi stacking.
- Geometric parameters, including bond lengths and angles, were precisely measured.
Main Results:
- The asymmetric unit contains four independent molecules of C(12)H(12)O(5).
- Intermolecular O-H⋯O hydrogen bonds connect the molecules into infinite one-dimensional chains.
- These chains are arranged nearly parallel along the b-axis and stabilized by pi-pi interactions with a distance of 3.443(2) Å.
Conclusions:
- The crystal structure of C(12)H(12)O(5) is characterized by a network of hydrogen bonds and pi-pi interactions.
- These interactions dictate the formation of one-dimensional supramolecular chains.
- The findings contribute to the understanding of crystal packing and intermolecular forces in organic compounds.
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