Methylxanthines. I. Anhydrous Theophylline

Ebisuzaki, Y.; Boyle, P.D.; Smith, J.A.

doi:10.1107/S0108270197001960

Methylxanthines. I. Anhydrous Theophylline

Y. Ebisuzaki, P. D. Boyle and J. A. Smith

Clear crystals of anhydrous theophylline (3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione), C₇H₈N₄O₂, were grown by sublimation and the X-ray structure determined. The planar molecules are stacked in columns along [010] and are inclined at an angle of 26.05 (10)° relative to (010). The melting point has been determined to be 548.8 (5) K.

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Methylxanthines. I. Anhydrous Theophylline

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	Crystallographic Information File (CIF) Contains datablocks global, Theopylline
	Structure factor file (CIF format) Supplementary material