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

New Journal of Chemistry 2026

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Authors: Francesco Isaia, M. Carla Aragoni, Massimiliano Arca, Francesco Demartin, Alessandra Garau, Vito Lippolis, Tiziana Pivetta, Enrico Podda
DOI: 10.1039/d5nj05002b
Cited by: 2
References: 113

Abstract

Reaction of caffeine (caf) with I 2 or ICl in CH 2 Cl 2 affords the 2 : 1 adduct (caf) 2 ·I 2 and the salt ([Hcaf][ICl 2 ]), respectively. The halogen identity and caffeine structure control protonation, intermolecular interactions, and crystal packing.

Fields of Study & Subjects

Crystallography and molecular interactions Crystal structures of chemical compounds Inorganic Fluorides and Related Compounds

Publication details

Journal / source
New Journal of Chemistry
Publisher
Royal Society of Chemistry (RSC)
Volume
50
Issue
12
Pages
5253–5265
Publication date
1 January 2026
Language
EN