Dimethyl 5-amino-2,4,6-triiodo-isophthalate.

ABSTRACT: The title compound, C(10)H(8)I(3)NO(4), crystallizes with two mol-ecules in the asymmetric unit. The I atoms and the benzene ring plane in the two mol-ecules are approximately coplanar, the I atoms deviating by -0.1631?(1), 0.0704?(1) and -0.0507?(1)?Å from the mean plane of the benzene ring in one mol-ecule and by 0.1500?(1), -0.0034?(1) and -0.1213?(1)?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 83.5?(3), 76.4?(3), 97.3?(1) and 75.7?(1)°. The mean planes of the benzene rings in two mol-ecules are inclined at 69.8?(3)° with respect to each other. In the crystal, inter-molecular I?O inter-actions link the mol-ecules into infinite chains. In addition, N-H?O and non-classical C-H?O hydrogen bonds are observed.

SUBMITTER: Zou P 

PROVIDER: S-EPMC2979769 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature