Crystal Structure of Theophylline--3,4-dihydroxybenzoic acid (1/1)

Id2021130
Common nameTheophylline--3,4-dihydroxybenzoic acid (1/1)
Chemical name1,3-Dimethyl-2,3,6,7-tetrahydro-1<i>H</i>-purine-2,6-dione—–\ 3,4-dihydroxybenzoic acid (1/1)
a (Å)6.7095(3)
b (Å)13.7764(6)
c (Å)30.7205(15)
α (°)90
β (°)90
γ (°)90
V (Å3)2839.6(2)
Space groupP b c a
Temperature (K)173(2)
Rint0.0478
Publication: Acta Crystallographica Section C (2018) 74, 6