Crystal Structure of Theophylline-7-acetic acid

Id8101921
Chemical nameTheophylline-7-acetic acid
a (Å)9.5418(11)
b (Å)7.2415(9)
c (Å)14.4455(17)
α (°)90.00
β (°)98.657(2)
γ (°)90.00
V (Å3)986.8(2)
Space groupP 1 21/n 1
Temperature (K)298(2)
Rint0.0525
Publication: Zeitschrift für Kristallographie - New Crystal Structures (2006) 221, 1 59-60