Crystal structure of N-(2-hydroxyethyl)-5-nitroisophthalamic acid monohydrate

Abstract

In the title compound, C10H10N2O6·H2O, the carboxylic acid group and the nitro group are essentially coplanar with the benzene ring [maximum deviation = 0.0264 (9) Å], while the amide group is oriented at a dihedral angle of 9.22 (5)° with respect to the benzene ring. In the crystal, classical O—H...O and N—H...O hydrogen bonds and weak C—H...O interactions link the organic molecules and water molecules of crystallization into a three-dimensional supramolecular architecture.

Keywords

• crystal structure
• isophthalamic acid
• hydrogen bonding
• C—H...O interactions
• X-ray contrast media