Crystal Structure of Caffeine:4-chloro-3nitrobenzoic acid

Id4508258
Common nameCaffeine:4-chloro-3nitrobenzoic acid
a (Å)8.0540(5)
b (Å)8.1481(5)
c (Å)15.0119(9)
α (°)77.109(2)
β (°)83.5590(10)
γ (°)64.0610(10)
V (Å3)863.46(9)
Space groupP -1
Temperature (K)296(2)
Rint0.0465
Publication: Crystal Growth & Design (2013) 13, 10 4435