Crystal Structure of Caffeine:2-iodo-4nitroaniline

Id7207660
Common nameCaffeine:2-iodo-4nitroaniline
a (Å)8.1283(5)
b (Å)13.8659(7)
c (Å)14.9447(8)
α (°)90.00
β (°)97.473(3)
γ (°)90.00
V (Å3)1670.05(16)
Space groupP 1 21/n 1
Temperature (K)296(2)
Rint0.0443
Publication: CrystEngComm (2012) 14, 7 2444