organic compounds
Clear crystals of anhydrous theobromine (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, C7H8N4O2) were grown by vacuum sublimation and the X-ray structure determined. The melting point of anhydrous theobromine has been determined as 620 (1) K. Two molecules in the asymmetric unit form a pseudo- centrosymmetric dimer and pack to form a layered structure of two-dimensional hydrogen-bonded networks.
Supporting information
Crystallographic Information File (CIF) | |
Structure factor file (CIF format) |
CCDC reference: 130731