title: 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 π-π 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.
authors.forename: Srinivasulu
authors.initials: S
authors.lastname: Aitipamula
authors.forename: Pui Shan
authors.initials: PS
authors.lastname: Chow
authors.forename: Reginald B H
authors.initials: RB
authors.lastname: Tan