Supramolecular architectures in the reaction products of caffeine with dihalogens: crystal structures of the CT-adduct bis(caffeine)-diiodine and the caffeinium iodine dichloride salt.

Key Points

• The research aims to explore the reaction between caffeine and dihalogens to create crystalline compounds.
• Conducted reactions of caffeine with diiodine in CH₂Cl₂
• Analyzed crystal structures of the resulting compounds
• Characterized compounds using standard crystallography techniques
• Identified the neutral non-ionic crystalline compound (caf)₂·I₂
• Determined the asymmetric unit structure of (caf)₂·I₂
• Provided insight into the crystallization behavior of caffeine and iodine