Crystal Structure of Caffeine:2-chloro-5nitroaniline

Id7207664
Common nameCaffeine:2-chloro-5nitroaniline
a (Å)13.5850(6)
b (Å)13.9085(6)
c (Å)17.5266(8)
α (°)90.00
β (°)104.8920(10)
γ (°)90.00
V (Å3)3200.4(2)
Space groupP 1 21/c 1
Temperature (K)100(2)
Rint0.0298
Publication: CrystEngComm (2012) 14, 7 2444