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6-(4-Methoxybenzylamino)purin-3-ium chloride
Zdenek Trávnícek1, Igor Popa, Karel Dolezal
1Department of Inorganic Chemistry, Faculty of Science, Palacký University, Krízkovského 10, CZ-771 47 Olomouc, Czech Republic. trav@aix.upol.cz
Acta Crystallographica. Section C, Crystal Structure Communications
|September 4, 2004
Summary
This study details the crystal structure of a novel aromatic cytokinin, C13H14N5O+.Cl-. This compound influences key plant and bacterial processes like cell division and differentiation.
Area of Science:
- Biochemistry
- Crystallography
- Plant Science
Background:
- Cytokinins are vital aromatic compounds regulating physiological processes in plants, animals, and bacteria.
- These processes include cell division, differentiation, and senescence.
- Understanding cytokinin structure is crucial for elucidating their biological functions.
Purpose of the Study:
- To determine the crystal structure of the title compound, C13H14N5O+.Cl-.
- To analyze the structural features of this aromatic cytokinin and its interactions.
Main Methods:
- Single crystal X-ray diffraction was employed to elucidate the molecular and crystal structure.
- The structure was analyzed to identify hydrogen bonding patterns and molecular conformations.
Main Results:
- The compound crystallizes as a 6-(4-methoxybenzylamino)purinium cation and a chloride anion.
- The cation exists as the N3-protonated N7 tautomer.
- The crystal structure is stabilized by intermolecular N(amino)-H...N(purine) hydrogen bonds, forming centrosymmetric dimers.
Conclusions:
- The determined crystal structure provides detailed insights into the molecular arrangement of this aromatic cytokinin.
- The hydrogen bonding network highlights a key stabilizing interaction within the crystal lattice.
- This structural information contributes to the broader understanding of cytokinin chemistry and their biological roles.