Crystal Structure of Caffeine:4-chloro-3nitroaniline

Id7207662
Common nameCaffeine:4-chloro-3nitroaniline
a (Å)7.7950(6)
b (Å)13.5627(9)
c (Å)14.9920(10)
α (°)90.00
β (°)95.6570(10)
γ (°)90.00
V (Å3)1577.25(19)
Space groupP 1 21/c 1
Temperature (K)100(2)
Rint0.0330
Publication: CrystEngComm (2012) 14, 7 2444