Crystal Structure of Caffeine:4-iodo-3nitroaniline

Id7207661
Common nameCaffeine:4-iodo-3nitroaniline
a (Å)8.0323(5)
b (Å)13.7265(8)
c (Å)15.3774(9)
α (°)90.00
β (°)93.5480(10)
γ (°)90.00
V (Å3)1692.19(18)
Space groupP 1 21/c 1
Temperature (K)296(2)
Rint0.0256
Publication: CrystEngComm (2012) 14, 7 2444