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Diethyl 5-amino-2,4,6-triiodo­isophthalate

The title compound, C(12)H(12)I(3)NO(4), crystallizes with two mol­ecules in an asymmetric unit. In one of the mol­ecules, 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 mol­ecule are trans. The...

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Detalles Bibliográficos
Autores principales: Wu, Jun, Xie, Min-Hao, Zou, Pei, Liu, Ya-Ling, He, Yong-Jun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980246/
https://www.ncbi.nlm.nih.gov/pubmed/21579990
http://dx.doi.org/10.1107/S1600536809051149
Descripción
Sumario:The title compound, C(12)H(12)I(3)NO(4), crystallizes with two mol­ecules in an asymmetric unit. In one of the mol­ecules, 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 mol­ecule are trans. The I atoms and the benzene rings in the two mol­ecules 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 mol­ecule 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 mol­ecules, 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 mol­ecules are inclined at 74.6 (4)° with respect to each other. In the crystal, inter­molecular I⋯O inter­actions [3.138 (7) and 3.144 (7) Å] link the mol­ecules into infinite chains along the a axis. In addition, non-classical C—H⋯O hydrogen bonds are observed.