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

Id4508259
Common nameCaffeine:4-chloro-3nitrobenzoic acid
a (Å)9.8561(5)
b (Å)9.9591(5)
c (Å)10.7056(5)
α (°)68.3770(10)
β (°)86.8970(10)
γ (°)62.7300(10)
V (Å3)859.91(7)
Space groupP -1
Temperature (K)296(2)
Rint0.0561
Publication: Crystal Growth & Design (2013) 13, 10 4435