Abstract
In the title compound, C10H9NO6, the carboxy, ethoxycarbonyl and nitro groups form dihedral angles of 3.8 (1), 4.5 (1) and 164.8 (1)°, respectively, with the mean plane of the benzene ring. In the crystal structure, molecules lying about inversion centers are linked through O—H⋯O hydrogen bonds. C—H⋯O interactions are also present.
Highlights
In the title compound, C10H9NO6, the carboxy, ethoxycarbonyl and nitro groups form dihedral angles of 3.8 (1), 4.5 (1) and 164.8 (1), respectively, with the mean plane of the benzene ring
Molecules lying about inversion centers are linked through O—HÁ Á ÁO hydrogen bonds
Related literature The title compound is an important intermediate for the preparation of iodinated X-ray contrast media, such as iotalamic acid, ioxitalamic acid, and ioxilan, which are used clinically all over the world (Morin et al, 1987; Singh & Rathore, 1980; Stacul, 2001)
Summary
Key indicators: single-crystal X-ray study; T = 93 K; mean (C–C) = 0.002 A; R factor = 0.043; wR factor = 0.087; data-to-parameter ratio = 14.8. C10H9NO6, the carboxy, ethoxycarbonyl and nitro groups form dihedral angles of 3.8 (1), 4.5 (1) and 164.8 (1), respectively, with the mean plane of the benzene ring. Molecules lying about inversion centers are linked through O—HÁ Á ÁO hydrogen bonds. Related literature The title compound is an important intermediate for the preparation of iodinated X-ray contrast media, such as iotalamic acid, ioxitalamic acid, and ioxilan, which are used clinically all over the world (Morin et al, 1987; Singh & Rathore, 1980; Stacul, 2001). See: Zou et al (2009).
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