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Theophylline-gentisic acid (1/1).

ABSTRACT: In the title 1:1 cocrystal, C(7)H(8)N(4)O(2)·C(7)H(6)O(4), the anti-asthmatic drug theophylline (systematic name: 1,3-dimethyl-7H-purine-2,6-dione) and a non-steroidal anti-inflammatory drug, gentisic acid (systematic name: 2,5-dihydroxy-benzoic acid) crystallize together, forming two-dimensional hydrogen-bonded sheets involving N-H?O and O-H?N hydrogen bonds. The overall crystal packing features ?-? stacking inter-actions [centroid-centroid distance = 3.348?(1)?Å]. The cocrystal described herein belongs to the class of pharmaceutical cocrystals involving two active pharmaceutical ingredients which has been relatively unexplored to date.

SUBMITTER: Aitipamula S

PROVIDER: S-EPMC2970150 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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Theophylline-gentisic acid (1/1).

Aitipamula Srinivasulu S Chow Pui Shan PS Tan Reginald B H RB

Acta crystallographica. Section E, Structure reports online 20090808 Pt 9

In the title 1:1 cocrystal, C(7)H(8)N(4)O(2)·C(7)H(6)O(4), the anti-asthmatic drug theophylline (systematic name: 1,3-dimethyl-7H-purine-2,6-dione) and a non-steroidal anti-inflammatory drug, gentisic acid (systematic name: 2,5-dihydroxy-benzoic acid) crystallize together, forming two-dimensional hydrogen-bonded sheets involving N-H⋯O and O-H⋯N hydrogen bonds. The overall crystal packing features π-π stacking inter-actions [centroid-centroid distance = 3.348 (1) Å]. The cocrystal described herei ...[more]

PMID: 21577539

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