title: Diethyl 5-amino-2,4,6-triiodo-isophthalate.
abstract: The title compound, C(12)H(12)I(3)NO(4), crystallizes with two mol-ecules in an asymmetric unit. In one of the mol-ecules, the conformation of the O-C-O-C in one ester group is cis and trans in the other. The corresponding conformations for both the ester groups in the other mol-ecule are trans. The I atoms and the benzene rings in the two mol-ecules are approximately coplanar, the I atoms deviating by 0.219 (14), 0.056 (15) and -0.143 (14) Å from the mean plane of the benzene ring in one mol-ecule and 0.189 (14), -0.162 (15) and -0.068 (14) Å in the other. The planes of the ester groups are almost orthogonal to those of the benzene rings in both mol-ecules, forming dihedral angles of 88.1 (4), 72.2 (4), 73.0 (4) and 86.6 (4)°. The mean planes of the benzene rings in the two mol-ecules are inclined at 74.6 (4)° with respect to each other. In the crystal, inter-molecular I⋯O inter-actions [3.138 (7) and 3.144 (7) Å] link the mol-ecules into infinite chains along the a axis. In addition, non-classical C-H⋯O hydrogen bonds are observed.
authors.affiliation: Jiangsu Institute of Nuclear Medicine, Wuxi 214063, People's Republic of China.
authors.forename: Jun
authors.initials: J
authors.lastname: Wu
authors.forename: Min-Hao
authors.initials: MH
authors.lastname: Xie
authors.forename: Pei
authors.initials: P
authors.lastname: Zou
authors.forename: Ya-Ling
authors.initials: YL
authors.lastname: Liu
authors.forename: Yong-Jun
authors.initials: YJ
authors.lastname: He