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Berberine formate-succinic acid (1/1)
Jaromír Marek1, Dagmar Hulová, Jirí Dostál
1Laboratory of Functional Genomics and Proteomics, Faculty of Science, Masaryk University, Kotlárská 2, CZ-611 37 Brno, Czech Republic. marek@chemi.muni.cz
Summary
This study details the crystal structure of a berberine derivative, revealing specific hydrogen bonding interactions between the berberine cations, formate anions, and succinic acid molecules in the solid state.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Berberine alkaloids are known for their diverse biological activities.
- Understanding the solid-state structure of berberine derivatives is crucial for drug design and material science.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, 9,10-dimethoxy-2,3-methylenedioxy-5,6-dihydrodibenzo[a,g]quinolizinium formate-succinic acid (1/1).
- To characterize the intermolecular interactions, including hydrogen bonding, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction analysis was performed on the title compound.
- The crystal structure was solved and refined to determine atomic coordinates and bonding parameters.
Main Results:
- The crystal structure reveals centrosymmetric pairs of berberine cations.
- Succinic acid molecules and formate anions form hydrogen-bonded rings through O-H...O interactions.
- Weak C-H...O hydrogen bonds connect cation pairs and succinic acid molecules.
Conclusions:
- The study provides detailed insights into the supramolecular assembly of the berberine derivative in the solid state.
- The identified hydrogen bonding network influences the crystal packing and stability of the compound.